ABT-888(Veliparib).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (1)
3

>  <Formula> (1)
C13H16N4O

>  <MolWeight> (1)
244.29234

>  <Cat> (1)
S1004

>  <Name> (1)
Veliparib (ABT-888)

>  <Synonyms> (1)
NSC 737664

>  <Target> (1)
Apoptosis related,Autophagy,PARP

>  <Form> (1)
free base

>  <CAS> (1)
912444-00-9

>  <URL> (1)
http://selleckchem.com/products/ABT-888.html

$$$$
azd6244.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (2)
6

>  <Formula> (2)
C17H15BrClFN4O3

>  <MolWeight> (2)
457.6814032

>  <Cat> (2)
S1008

>  <Name> (2)
Selumetinib (AZD6244)

>  <Synonyms> (2)
ARRY-142886

>  <Target> (2)
Apoptosis related,MEK

>  <Form> (2)
free base

>  <CAS> (2)
606143-52-6

>  <URL> (2)
http://selleckchem.com/products/AZD6244.html

$$$$
CI1040.cdx
csChFnd80/09292414072D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
11

>  <Formula> (3)
C17H14ClF2IN2O2

>  <MolWeight> (3)
478.6595364

>  <Cat> (3)
S1020

>  <Name> (3)
PD184352 (CI-1040)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Apoptosis related,MEK

>  <Form> (3)
free base

>  <CAS> (3)
212631-79-3

>  <URL> (3)
http://selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (4)
13

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
990.206121

>  <Cat> (4)
S1022

>  <Name> (4)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (4)
AP23573

>  <Target> (4)
FKBP,mTOR

>  <Form> (4)
free base

>  <CAS> (4)
572924-54-0

>  <URL> (4)
http://selleckchem.com/products/Deforolimus.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (5)
19

>  <Formula> (5)
C21H23N3O2

>  <MolWeight> (5)
349.42622

>  <Cat> (5)
S1030

>  <Name> (5)
Panobinostat (LBH589)

>  <Synonyms> (5)
NVP-LBH589

>  <Target> (5)
Apoptosis related,Autophagy,HDAC,HIV Protease

>  <Form> (5)
Free Base

>  <CAS> (5)
404950-80-7

>  <URL> (5)
http://selleckchem.com/products/LBH-589.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (6)
23

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
482.1930396

>  <Cat> (6)
S1036

>  <Name> (6)
Mirdametinib (PD0325901)

>  <Synonyms> (6)
N/A

>  <Target> (6)
MEK

>  <Form> (6)
free base

>  <CAS> (6)
391210-10-9

>  <URL> (6)
http://selleckchem.com/products/PD-0325901.html

$$$$
AR-42.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (7)
25

>  <Formula> (7)
C18H20N2O3

>  <MolWeight> (7)
312.363

>  <Cat> (7)
S2244

>  <Name> (7)
AR-42

>  <Synonyms> (7)
HDAC-42

>  <Target> (7)
HDAC

>  <Form> (7)
free base

>  <CAS> (7)
935881-37-1

>  <URL> (7)
http://selleckchem.com/products/AR-42-HDAC-42.html

$$$$
1.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (8)
26

>  <Formula> (8)
C19H16N4O3

>  <MolWeight> (8)
348.35534

>  <Cat> (8)
S1038

>  <Name> (8)
PI-103

>  <Synonyms> (8)
N/A

>  <Target> (8)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (8)
free base

>  <CAS> (8)
371935-74-9

>  <URL> (8)
http://selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (9)
27

>  <Formula> (9)
C51H79NO13

>  <MolWeight> (9)
914.17186

>  <Cat> (9)
S1039

>  <Name> (9)
Rapamycin (AY-22989)

>  <Synonyms> (9)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (9)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (9)
free base

>  <CAS> (9)
53123-88-9

>  <URL> (9)
http://selleckchem.com/products/Rapamycin.html

$$$$

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>  <Mol_ID> (10)
28

>  <Formula> (10)
C28H24ClF3N4O6S

>  <MolWeight> (10)
637.0265696

>  <Cat> (10)
S1040

>  <Name> (10)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (10)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (10)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (10)
Tosylate

>  <CAS> (10)
475207-59-1

>  <URL> (10)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (11)
29

>  <Formula> (11)
C15H13N3S

>  <MolWeight> (11)
267.34882

>  <Cat> (11)
S1041

>  <Name> (11)
STF-62247

>  <Synonyms> (11)
N/A

>  <Target> (11)
Autophagy

>  <Form> (11)
free base

>  <CAS> (11)
315702-99-9

>  <URL> (11)
http://selleckchem.com/products/STF-62247.html

$$$$
vorinostat.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (12)
31

>  <Formula> (12)
C14H20N2O3

>  <MolWeight> (12)
264.3202

>  <Cat> (12)
S1047

>  <Name> (12)
Vorinostat (SAHA)

>  <Synonyms> (12)
SAHA,MK0683, Suberoylanilide hydroxamic acid, Zolinza

>  <Target> (12)
Autophagy,HDAC,HPV

>  <Form> (12)
free base

>  <CAS> (12)
149647-78-9

>  <URL> (12)
http://selleckchem.com/products/Vorinostat-saha.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (13)
35

>  <Formula> (13)
C21H20N4O3

>  <MolWeight> (13)
376.4085

>  <Cat> (13)
S1053

>  <Name> (13)
Entinostat (MS-275)

>  <Synonyms> (13)
SNDX-275

>  <Target> (13)
Apoptosis related,Autophagy,HDAC

>  <Form> (13)
free base

>  <CAS> (13)
209783-80-2

>  <URL> (13)
http://selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (14)
36

>  <Formula> (14)
C32H29N5O2

>  <MolWeight> (14)
515.60496

>  <Cat> (14)
S1055

>  <Name> (14)
Enzastaurin (LY317615)

>  <Synonyms> (14)
N/A

>  <Target> (14)
PKC

>  <Form> (14)
free base

>  <CAS> (14)
170364-57-5

>  <URL> (14)
http://selleckchem.com/products/Enzastaurin.html

$$$$
AZD2281.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (15)
38

>  <Formula> (15)
C24H23FN4O3

>  <MolWeight> (15)
434.4628232

>  <Cat> (15)
S1060

>  <Name> (15)
Olaparib (AZD2281)

>  <Synonyms> (15)
Ku-0059436

>  <Target> (15)
Autophagy,Mitophagy,PARP

>  <Form> (15)
free base

>  <CAS> (15)
763113-22-0

>  <URL> (15)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/09292414072D

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    1.3932    1.2431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    0.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  7  8  1  0  0  0  0
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  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (16)
41

>  <Formula> (16)
C23H27N7O3S2

>  <MolWeight> (16)
513.63558

>  <Cat> (16)
S1065

>  <Name> (16)
Pictilisib (GDC-0941)

>  <Synonyms> (16)
RG7321

>  <Target> (16)
Apoptosis related,Autophagy,PI3K

>  <Form> (16)
free base

>  <CAS> (16)
957054-30-7

>  <URL> (16)
http://selleckchem.com/products/GDC-0941.html

$$$$
1.cdx
csChFnd80/09292414072D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  7  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (17)
44

>  <Formula> (17)
C19H21F2N7O2

>  <MolWeight> (17)
417.4125464

>  <Cat> (17)
S1072

>  <Name> (17)
ZSTK474

>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K

>  <Form> (17)
free base

>  <CAS> (17)
475110-96-4

>  <URL> (17)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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  9 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (18)
45

>  <Formula> (18)
C19H12Cl2N2O2

>  <MolWeight> (18)
371.21678

>  <Cat> (18)
S1075

>  <Name> (18)
SB216763

>  <Synonyms> (18)
N/A

>  <Target> (18)
Autophagy,GSK-3

>  <Form> (18)
free base

>  <CAS> (18)
280744-09-4

>  <URL> (18)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
csChFnd80/09292414072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
46

>  <Formula> (19)
C21H16FN3OS

>  <MolWeight> (19)
377.4346432

>  <Cat> (19)
S1076

>  <Name> (19)
Adezmapimod (SB203580)

>  <Synonyms> (19)
RWJ 64809, PB 203580

>  <Target> (19)
Mitophagy,p38 MAPK

>  <Form> (19)
Free Base

>  <CAS> (19)
152121-47-6

>  <URL> (19)
http://selleckchem.com/products/SB-203580.html

$$$$
1.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (20)
47

>  <Formula> (20)
C20H14FN3O

>  <MolWeight> (20)
331.3430632

>  <Cat> (20)
S1077

>  <Name> (20)
SB202190 (FHPI)

>  <Synonyms> (20)
N/A

>  <Target> (20)
Apoptosis related,Autophagy,Ferroptosis,p38 MAPK

>  <Form> (20)
free base

>  <CAS> (20)
152121-30-7

>  <URL> (20)
http://selleckchem.com/products/SB-202190.html

$$$$

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>  <Mol_ID> (21)
48

>  <Formula> (21)
C25H23Cl2N5O

>  <MolWeight> (21)
480.38902

>  <Cat> (21)
S1078

>  <Name> (21)
MK-2206 2HCl

>  <Synonyms> (21)
N/A

>  <Target> (21)
Akt,Apoptosis related,Autophagy

>  <Form> (21)
Dihydrochloride

>  <CAS> (21)
1032350-13-2

>  <URL> (21)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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>  <Mol_ID> (22)
52

>  <Formula> (22)
C15H14N2O4S

>  <MolWeight> (22)
318.34766

>  <Cat> (22)
S1085

>  <Name> (22)
Belinostat (PXD101)

>  <Synonyms> (22)
PXD101,NSC726630, PX-105684

>  <Target> (22)
Autophagy,HDAC

>  <Form> (22)
free base

>  <CAS> (22)
866323-14-0

>  <URL> (22)
http://selleckchem.com/products/Belinostat.html

$$$$
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>  <Mol_ID> (23)
53

>  <Formula> (23)
C7H5IN2O3

>  <MolWeight> (23)
292.03067

>  <Cat> (23)
S1087

>  <Name> (23)
Iniparib (BSI-201)

>  <Synonyms> (23)
NSC-746045, IND-71677

>  <Target> (23)
PARP

>  <Form> (23)
free base

>  <CAS> (23)
160003-66-7

>  <URL> (23)
http://selleckchem.com/products/BSI-201.html

$$$$
untitled.cdx
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>  <Mol_ID> (24)
55

>  <Formula> (24)
C21H23N3O5

>  <MolWeight> (24)
397.42442

>  <Cat> (24)
S1090

>  <Name> (24)
Abexinostat (PCI-24781)

>  <Synonyms> (24)
CRA-024781

>  <Target> (24)
HDAC

>  <Form> (24)
free base

>  <CAS> (24)
783355-60-2

>  <URL> (24)
http://selleckchem.com/products/PCI-24781.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (25)
56

>  <Formula> (25)
C21H17NO3S2

>  <MolWeight> (25)
395.49458

>  <Cat> (25)
S1092

>  <Name> (25)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (25)
N/A

>  <Target> (25)
ATM/ATR,Autophagy,ULK

>  <Form> (25)
free base

>  <CAS> (25)
587871-26-9

>  <URL> (25)
http://selleckchem.com/products/KU-55933.html

$$$$
LAQ824.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (26)
59

>  <Formula> (26)
C22H25N3O3

>  <MolWeight> (26)
379.4522

>  <Cat> (26)
S1095

>  <Name> (26)
Dacinostat (LAQ824)

>  <Synonyms> (26)
NVP-LAQ824

>  <Target> (26)
HDAC,p21

>  <Form> (26)
free base

>  <CAS> (26)
404951-53-7

>  <URL> (26)
http://selleckchem.com/products/LAQ824(NVP-LAQ824).html

$$$$

csChFnd80/09292414072D

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>  <Mol_ID> (27)
60

>  <Formula> (27)
C19H21FN3O5P

>  <MolWeight> (27)
421.3593042

>  <Cat> (27)
S1098

>  <Name> (27)
Rucaparib (AG-014699) phosphate

>  <Synonyms> (27)
PF-01367338

>  <Target> (27)
PARP

>  <Form> (27)
Phosphate

>  <CAS> (27)
459868-92-9

>  <URL> (27)
http://selleckchem.com/products/AG-014699.html

$$$$
GDC-0879.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (28)
65

>  <Formula> (28)
C19H18N4O2

>  <MolWeight> (28)
334.37182

>  <Cat> (28)
S1104

>  <Name> (28)
GDC-0879

>  <Synonyms> (28)
AR-00341677

>  <Target> (28)
Raf

>  <Form> (28)
free base

>  <CAS> (28)
905281-76-7

>  <URL> (28)
http://selleckchem.com/products/GDC-0879.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (29)
66

>  <Formula> (29)
C19H17NO3

>  <MolWeight> (29)
307.34318

>  <Cat> (29)
S1105

>  <Name> (29)
LY294002

>  <Synonyms> (29)
SF 1101, NSC 697286

>  <Target> (29)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (29)
free base

>  <CAS> (29)
154447-36-6

>  <URL> (29)
http://selleckchem.com/products/LY294002.html

$$$$
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M  END
>  <Mol_ID> (30)
67

>  <Formula> (30)
C26H19F3N4O

>  <MolWeight> (30)
460.4504696

>  <Cat> (30)
S1106

>  <Name> (30)
OSU-03012 (AR-12)

>  <Synonyms> (30)
N/A

>  <Target> (30)
PDPK1

>  <Form> (30)
free base

>  <CAS> (30)
742112-33-0

>  <URL> (30)
http://selleckchem.com/products/OSU-03012.html

$$$$
U0126-EtOH.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (31)
68

>  <Formula> (31)
C20H22N6OS2

>  <MolWeight> (31)
426.55828

>  <Cat> (31)
S1102

>  <Name> (31)
U0126-EtOH

>  <Synonyms> (31)
N/A

>  <Target> (31)
Antiviral,Autophagy,MEK,Mitophagy

>  <Form> (31)
Ethanolate

>  <CAS> (31)
1173097-76-1

>  <URL> (31)
http://selleckchem.com/products/U0126.html

$$$$
Everolimus.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (32)
74

>  <Formula> (32)
C53H83NO14

>  <MolWeight> (32)
958.22442

>  <Cat> (32)
S1120

>  <Name> (32)
Everolimus (RAD001)

>  <Synonyms> (32)
RAD001,SDZ-RAD, Afinitor

>  <Target> (32)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (32)
free base

>  <CAS> (32)
159351-69-6

>  <URL> (32)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
726169-73-9.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (33)
76

>  <Formula> (33)
C23H20N6O

>  <MolWeight> (33)
396.4445

>  <Cat> (33)
S1122

>  <Name> (33)
Mocetinostat (MGCD0103)

>  <Synonyms> (33)
MG0103

>  <Target> (33)
Apoptosis related,Autophagy,HDAC

>  <Form> (33)
free base

>  <CAS> (33)
726169-73-9

>  <URL> (33)
http://selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
ino-1001.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (34)
78

>  <Formula> (34)
C7H8N2O

>  <MolWeight> (34)
136.15122

>  <Cat> (34)
S1132

>  <Name> (34)
3-Aminobenzamide

>  <Synonyms> (34)
3-ABA , 3-amino Benzamide, 3-AB

>  <Target> (34)
Apoptosis related,PARP

>  <Form> (34)
free base

>  <CAS> (34)
3544-24-9

>  <URL> (34)
https://www.selleckchem.com/products/3-aminobenzamide.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (35)
92

>  <Formula> (35)
C17H14ClF2N3O3S

>  <MolWeight> (35)
413.8261664

>  <Cat> (35)
S1152

>  <Name> (35)
PLX-4720

>  <Synonyms> (35)
N/A

>  <Target> (35)
Raf

>  <Form> (35)
free base

>  <CAS> (35)
918505-84-7

>  <URL> (35)
http://selleckchem.com/products/PLX-4720.html

$$$$
S31-201.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (36)
94

>  <Formula> (36)
C16H15NO7S

>  <MolWeight> (36)
365.3578

>  <Cat> (36)
S1155

>  <Name> (36)
S3I-201

>  <Synonyms> (36)
NSC 74859

>  <Target> (36)
STAT

>  <Form> (36)
free base

>  <CAS> (36)
501919-59-1

>  <URL> (36)
http://selleckchem.com/products/S31-201.html

$$$$
TGX-221.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (37)
98

>  <Formula> (37)
C21H24N4O2

>  <MolWeight> (37)
364.44086

>  <Cat> (37)
S1169

>  <Name> (37)
TGX-221

>  <Synonyms> (37)
N/A

>  <Target> (37)
PI3K

>  <Form> (37)
free base

>  <CAS> (37)
663619-89-4

>  <URL> (37)
http://selleckchem.com/products/TGX-221.html

$$$$

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M  END
>  <Mol_ID> (38)
105

>  <Formula> (38)
C16H13NO3

>  <MolWeight> (38)
267.27932

>  <Cat> (38)
S1177

>  <Name> (38)
PD98059

>  <Synonyms> (38)
N/A

>  <Target> (38)
AhR,MEK

>  <Form> (38)
free base

>  <CAS> (38)
167869-21-8

>  <URL> (38)
http://selleckchem.com/products/PD-98059.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (39)
118

>  <Formula> (39)
C24H26N4O4

>  <MolWeight> (39)
434.48764

>  <Cat> (39)
S1194

>  <Name> (39)
CUDC-101

>  <Synonyms> (39)
N/A

>  <Target> (39)
EGFR,HDAC,HER2

>  <Form> (39)
free base

>  <CAS> (39)
1012054-59-9

>  <URL> (39)
http://selleckchem.com/products/CUDC-101.html

$$$$
KU-0063794.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (40)
134

>  <Formula> (40)
C25H31N5O4

>  <MolWeight> (40)
465.54474

>  <Cat> (40)
S1226

>  <Name> (40)
KU-0063794

>  <Synonyms> (40)
N/A

>  <Target> (40)
mTOR

>  <Form> (40)
free base

>  <CAS> (40)
938440-64-3

>  <URL> (40)
http://selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
138

>  <Formula> (41)
C19H26O3

>  <MolWeight> (41)
302.40794

>  <Cat> (41)
S1233

>  <Name> (41)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (41)
NSC 659853, 2-ME2

>  <Target> (41)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (41)
free base

>  <CAS> (41)
362-07-2

>  <URL> (41)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/09292414072D

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C24H29N7O5

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>  <Cat> (42)
S1266

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WYE-354

>  <Synonyms> (42)
N/A

>  <Target> (42)
mTOR

>  <Form> (42)
free base

>  <CAS> (42)
1062169-56-5

>  <URL> (42)
http://selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (43)
157

>  <Formula> (43)
C23H18ClF2N3O3S

>  <MolWeight> (43)
489.9221264

>  <Cat> (43)
S1267

>  <Name> (43)
Vemurafenib (PLX4032)

>  <Synonyms> (43)
RG7204, RO5185426,PLX4032

>  <Target> (43)
Autophagy,Raf

>  <Form> (43)
free base

>  <CAS> (43)
918504-65-1

>  <URL> (43)
http://selleckchem.com/products/PLX-4032.html

$$$$
TG100-115.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (44)
223

>  <Formula> (44)
C18H14N6O2

>  <MolWeight> (44)
346.34276

>  <Cat> (44)
S1352

>  <Name> (44)
TG100-115

>  <Synonyms> (44)
N/A

>  <Target> (44)
PI3K

>  <Form> (44)
free base

>  <CAS> (44)
677297-51-7

>  <URL> (44)
http://selleckchem.com/products/TG100-115.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (45)
231

>  <Formula> (45)
C22H19Cl3N8

>  <MolWeight> (45)
501.79886

>  <Cat> (45)
S2924

>  <Name> (45)
Laduviglusib (CHIR-99021) HCl

>  <Synonyms> (45)
CT99021 HCl

>  <Target> (45)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (45)
Hydrochloride

>  <CAS> (45)
1797989-42-4

>  <URL> (45)
http://selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Droxinostat.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (46)
260

>  <Formula> (46)
C11H14ClNO3

>  <MolWeight> (46)
243.68676

>  <Cat> (46)
S1422

>  <Name> (46)
Droxinostat

>  <Synonyms> (46)
NS 41080

>  <Target> (46)
HDAC

>  <Form> (46)
free base

>  <CAS> (46)
99873-43-5

>  <URL> (46)
http://selleckchem.com/products/Droxinostat.html

$$$$
sp600125.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (47)
281

>  <Formula> (47)
C14H8N2O

>  <MolWeight> (47)
220.22612

>  <Cat> (47)
S1460

>  <Name> (47)
SP600125

>  <Synonyms> (47)
Nsc75890

>  <Target> (47)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (47)
free base

>  <CAS> (47)
129-56-6

>  <URL> (47)
http://selleckchem.com/products/SP600125.html

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>  <Mol_ID> (48)
282

>  <Formula> (48)
C19H16N2O5

>  <MolWeight> (48)
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>  <Cat> (48)
S1007

>  <Name> (48)
Roxadustat (FG-4592)

>  <Synonyms> (48)
ASP1517

>  <Target> (48)
Ferroptosis,HIF

>  <Form> (48)
free base

>  <CAS> (48)
808118-40-3

>  <URL> (48)
http://selleckchem.com/products/fg-4592.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (49)
290

>  <Formula> (49)
C15H15FIN3O3

>  <MolWeight> (49)
431.2007732

>  <Cat> (49)
S1475

>  <Name> (49)
Pimasertib (AS-703026)

>  <Synonyms> (49)
MSC1936369B, SAR 245509

>  <Target> (49)
MEK

>  <Form> (49)
free base

>  <CAS> (49)
1236699-92-5

>  <URL> (49)
http://selleckchem.com/products/AS703026.html

$$$$
MC-1568.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (50)
296

>  <Formula> (50)
C17H15FN2O3

>  <MolWeight> (50)
314.3110032

>  <Cat> (50)
S1484

>  <Name> (50)
MC1568

>  <Synonyms> (50)
N/A

>  <Target> (50)
HDAC

>  <Form> (50)
free base

>  <CAS> (50)
852475-26-4

>  <URL> (50)
http://selleckchem.com/products/MC1568.html

$$$$

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>  <Mol_ID> (51)
301

>  <Formula> (51)
C14H16ClN3O4S2

>  <MolWeight> (51)
389.87754

>  <Cat> (51)
S1489

>  <Name> (51)
PIK-93

>  <Synonyms> (51)
N/A

>  <Target> (51)
PI4K

>  <Form> (51)
free base

>  <CAS> (51)
593960-11-3

>  <URL> (51)
http://selleckchem.com/products/PIK-93.html

$$$$
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310

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C20H30N4O2

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N/A

>  <Target> (52)
Apoptosis related,HDAC

>  <Form> (52)
free base

>  <CAS> (52)
929016-96-6

>  <URL> (52)
http://selleckchem.com/products/SB939.html

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311

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C24H22O6

>  <MolWeight> (53)
406.42788

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>  <Name> (53)
Palomid 529 (P529)

>  <Synonyms> (53)
SG 00529

>  <Target> (53)
mTOR

>  <Form> (53)
free base

>  <CAS> (53)
914913-88-5

>  <URL> (53)
http://selleckchem.com/products/Palomid-529-P529.html

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XL-765.cdx
csChFnd80/09292414072D

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C31H29N5O6S

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Voxtalisib (XL765) Analogue

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>  <Target> (54)
mTOR,PI3K

>  <Form> (54)
free base

>  <CAS> (54)
1349796-36-6

>  <URL> (54)
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317

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C18H17FN4O

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A-966492

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>  <Target> (55)
PARP

>  <Form> (55)
free base

>  <CAS> (55)
934162-61-5

>  <URL> (55)
http://selleckchem.com/products/A-966492.html

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MEK

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1094614-84-2

>  <URL> (56)
http://selleckchem.com/products/BIX-02188.html

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ERK,MEK

>  <Form> (57)
free base

>  <CAS> (57)
1094614-85-3

>  <URL> (57)
http://selleckchem.com/products/BIX-02189.html

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ROS

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free base

>  <CAS> (58)
144060-53-7

>  <URL> (58)
http://selleckchem.com/products/Febuxostat(Uloric).html

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Apoptosis related,Autophagy,mTOR

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free base

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1009298-09-2

>  <URL> (59)
http://selleckchem.com/products/AZD8055.html

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 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (64)
347

>  <Formula> (64)
C31H37N5O3

>  <MolWeight> (64)
527.65718

>  <Cat> (64)
S1574

>  <Name> (64)
Doramapimod (BIRB 796)

>  <Synonyms> (64)
N/A

>  <Target> (64)
JNK,p38 MAPK,Raf,Src

>  <Form> (64)
free base

>  <CAS> (64)
285983-48-4

>  <URL> (64)
http://selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/09292414072D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (65)
373

>  <Formula> (65)
C5H4N4O

>  <MolWeight> (65)
136.11146

>  <Cat> (65)
S1630

>  <Name> (65)
Allopurinol

>  <Synonyms> (65)
N/A

>  <Target> (65)
ROS

>  <Form> (65)
Free Base

>  <CAS> (65)
315-30-0

>  <URL> (65)
http://selleckchem.com/products/Allopurinol(Zyloprim).html

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/09292414072D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (66)
374

>  <Formula> (66)
C5H4N4NaO+

>  <MolWeight> (66)
159.10123

>  <Cat> (66)
S1631

>  <Name> (66)
Allopurinol Sodium

>  <Synonyms> (66)
N/A

>  <Target> (66)
ROS

>  <Form> (66)
Sodium Salt

>  <CAS> (66)
17795-21-0

>  <URL> (66)
http://selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

$$$$
Artesunate.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (67)
384

>  <Formula> (67)
C19H28O8

>  <MolWeight> (67)
384.42082

>  <Cat> (67)
S2265

>  <Name> (67)
Artesunate (WR-256283)

>  <Synonyms> (67)
WR-256283

>  <Target> (67)
ADC Cytotoxin,STAT

>  <Form> (67)
free base

>  <CAS> (67)
88495-63-0

>  <URL> (67)
http://selleckchem.com/products/Artesunate.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/09292414072D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (68)
415

>  <Formula> (68)
C16H31NaO4

>  <MolWeight> (68)
310.40471

>  <Cat> (68)
S1703

>  <Name> (68)
Divalproex Sodium

>  <Synonyms> (68)
N/A

>  <Target> (68)
HDAC

>  <Form> (68)
Sodium Salt

>  <CAS> (68)
76584-70-8

>  <URL> (68)
http://selleckchem.com/products/Divalproex-sodium.html

$$$$
Tangeretin.cdx
csChFnd80/09292414072D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (69)
500

>  <Formula> (69)
C20H20O7

>  <MolWeight> (69)
372.3686

>  <Cat> (69)
S2363

>  <Name> (69)
Tangeretin

>  <Synonyms> (69)
Tangeritin

>  <Target> (69)
Antioxidant

>  <Form> (69)
free base

>  <CAS> (69)
481-53-8

>  <URL> (69)
http://selleckchem.com/products/Tangeretin(Tangeritin).html

$$$$
Indirubin.cdx
csChFnd80/09292414072D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (70)
519

>  <Formula> (70)
C16H10N2O2

>  <MolWeight> (70)
262.2628

>  <Cat> (70)
S2386

>  <Name> (70)
Indirubin?(NSC 105327)

>  <Synonyms> (70)
NSC 105327

>  <Target> (70)
GSK-3

>  <Form> (70)
free base

>  <CAS> (70)
479-41-4

>  <URL> (70)
http://selleckchem.com/products/Indirubin.html

$$$$
AZ628.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (71)
541

>  <Formula> (71)
C27H25N5O2

>  <MolWeight> (71)
451.5197

>  <Cat> (71)
S2746

>  <Name> (71)
AZ 628

>  <Synonyms> (71)
N/A

>  <Target> (71)
Apoptosis related,Raf

>  <Form> (71)
free base

>  <CAS> (71)
878739-06-1

>  <URL> (71)
http://selleckchem.com/products/az628.html

$$$$
CHIR-98014.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (72)
542

>  <Formula> (72)
C20H17Cl2N9O2

>  <MolWeight> (72)
486.31408

>  <Cat> (72)
S2745

>  <Name> (72)
CHIR-98014

>  <Synonyms> (72)
CT98014

>  <Target> (72)
GSK-3

>  <Form> (72)
free base

>  <CAS> (72)
252935-94-7

>  <URL> (72)
http://selleckchem.com/products/chir-98014.html

$$$$

csChFnd80/09292414072D

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>  <Mol_ID> (73)
547

>  <Formula> (73)
C32H29F3N6O6

>  <MolWeight> (73)
650.6044696

>  <Cat> (73)
S2749

>  <Name> (73)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (73)
N/A

>  <Target> (73)
mTOR,PI3K

>  <Form> (73)
maleate

>  <CAS> (73)
1245537-68-1

>  <URL> (73)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
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>  <Synonyms> (74)
N/A

>  <Target> (74)
Autophagy,PI3K,PIKfyve

>  <Form> (74)
free base

>  <CAS> (74)
371942-69-7

>  <URL> (74)
http://selleckchem.com/products/ym201636.html

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>  <Mol_ID> (75)
555

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C23H26IN7O2S

>  <MolWeight> (75)
591.46771

>  <Cat> (75)
S1274

>  <Name> (75)
BX-795

>  <Synonyms> (75)
N/A

>  <Target> (75)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (75)
free base

>  <CAS> (75)
702675-74-9

>  <URL> (75)
http://selleckchem.com/products/bx-795.html

$$$$
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>  <Mol_ID> (76)
556

>  <Formula> (76)
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>  <MolWeight> (76)
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>  <Cat> (76)
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>  <Name> (76)
BX-912

>  <Synonyms> (76)
N/A

>  <Target> (76)
PDK

>  <Form> (76)
free base

>  <CAS> (76)
702674-56-4

>  <URL> (76)
http://selleckchem.com/products/bx-912.html

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>  <Mol_ID> (77)
559

>  <Formula> (77)
C17H16N2O3

>  <MolWeight> (77)
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>  <Cat> (77)
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>  <Name> (77)
PCI-34051

>  <Synonyms> (77)
N/A

>  <Target> (77)
Apoptosis related,HDAC

>  <Form> (77)
free base

>  <CAS> (77)
950762-95-5

>  <URL> (77)
http://selleckchem.com/products/pci-34051.html

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>  <Mol_ID> (78)
564

>  <Formula> (78)
C23H24N8O4S

>  <MolWeight> (78)
508.55286

>  <Cat> (78)
S2759

>  <Name> (78)
Fimepinostat (CUDC-907)

>  <Synonyms> (78)
N/A

>  <Target> (78)
Apoptosis related,HDAC,PI3K

>  <Form> (78)
free base

>  <CAS> (78)
1339928-25-4

>  <URL> (78)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
M344.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (79)
575

>  <Formula> (79)
C16H25N3O3

>  <MolWeight> (79)
307.388

>  <Cat> (79)
S2779

>  <Name> (79)
M344

>  <Synonyms> (79)
N/A

>  <Target> (79)
HDAC

>  <Form> (79)
free base

>  <CAS> (79)
251456-60-7

>  <URL> (79)
http://selleckchem.com/products/m344.html

$$$$
AZD2014.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (80)
577

>  <Formula> (80)
C25H30N6O3

>  <MolWeight> (80)
462.5441

>  <Cat> (80)
S2783

>  <Name> (80)
Vistusertib (AZD2014)

>  <Synonyms> (80)
N/A

>  <Target> (80)
Apoptosis related,Autophagy,mTOR

>  <Form> (80)
free base

>  <CAS> (80)
1009298-59-2

>  <URL> (80)
http://selleckchem.com/products/azd2014.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (81)
592

>  <Formula> (81)
C25H22N6O2

>  <MolWeight> (81)
438.48118

>  <Cat> (81)
S2791

>  <Name> (81)
Sotrastaurin (AEB071)

>  <Synonyms> (81)
AEB071

>  <Target> (81)
PKC

>  <Form> (81)
free base

>  <CAS> (81)
425637-18-9

>  <URL> (81)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
GDC-0068.cdx
csChFnd80/09292414072D

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Akt

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free base

>  <CAS> (82)
1001264-89-6

>  <URL> (82)
http://selleckchem.com/products/gdc-0068.html

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>  <Name> (83)
Dabrafenib (GSK2118436)

>  <Synonyms> (83)
GSK2118436A

>  <Target> (83)
Raf

>  <Form> (83)
free base

>  <CAS> (83)
1195765-45-7

>  <URL> (83)
http://selleckchem.com/products/dabrafenib-gsk2118436.html

$$$$
Torin 2.cdx
csChFnd80/09292414072D

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Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (84)
free base

>  <CAS> (84)
1223001-51-1

>  <URL> (84)
http://selleckchem.com/products/torin-2.html

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N/A

>  <Target> (85)
PI3K

>  <Form> (85)
free base

>  <CAS> (85)
1217486-61-7

>  <URL> (85)
http://selleckchem.com/products/byl719.html

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   10.4757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (86)
611

>  <Formula> (86)
C15H15N3O2

>  <MolWeight> (86)
269.2985

>  <Cat> (86)
S2818

>  <Name> (86)
Tacedinaline (CI994)

>  <Synonyms> (86)
PD-123654, GOE-5549, Acetyldinaline

>  <Target> (86)
HDAC

>  <Form> (86)
free base

>  <CAS> (86)
112522-64-2

>  <URL> (86)
http://selleckchem.com/products/ci994-tacedinaline.html

$$$$
Quercetin.cdx
csChFnd80/09292414072D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (87)
615

>  <Formula> (87)
C15H10O7

>  <MolWeight> (87)
302.2357

>  <Cat> (87)
S2391

>  <Name> (87)
Quercetin (NSC 9221)

>  <Synonyms> (87)
Sophoretin, C.I. 75720

>  <Target> (87)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (87)
Free Base

>  <CAS> (87)
117-39-5

>  <URL> (87)
http://selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
AZD8330.cdx
csChFnd80/09292414072D

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 10 11  1  0  0  0  0
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 23 24  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (88)
632

>  <Formula> (88)
C16H17FIN3O4

>  <MolWeight> (88)
461.2267532

>  <Cat> (88)
S2134

>  <Name> (88)
AZD8330

>  <Synonyms> (88)
ARRY704

>  <Target> (88)
MEK

>  <Form> (88)
free base

>  <CAS> (88)
869357-68-6

>  <URL> (88)
http://selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/09292414072D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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  9 37  1  0  0  0  0
M  END
>  <Mol_ID> (89)
646

>  <Formula> (89)
C24H16F6N6O

>  <MolWeight> (89)
518.4138592

>  <Cat> (89)
S2161

>  <Name> (89)
RAF265 (CHIR-265)

>  <Synonyms> (89)
N/A

>  <Target> (89)
Apoptosis related,Raf,VEGFR

>  <Form> (89)
free base

>  <CAS> (89)
927880-90-8

>  <URL> (89)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$

csChFnd80/09292414072D

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M  END
>  <Mol_ID> (90)
647

>  <Formula> (90)
C24H30ClN3O5

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N/A

>  <Target> (90)
HDAC

>  <Form> (90)
Chloride

>  <CAS> (90)
732302-99-7

>  <URL> (90)
http://selleckchem.com/products/ITF2357(Givinostat).html

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N/A

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EGFR,PKA,PKC

>  <Form> (91)
free base

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486-35-1

>  <URL> (91)
http://selleckchem.com/products/Daphnetin.html

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AG-14361

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N/A

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PARP

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free base

>  <CAS> (92)
328543-09-5

>  <URL> (92)
http://selleckchem.com/products/AG14361.html

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>  <Mol_ID> (93)
667

>  <Formula> (93)
C26H20F3N7O

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N/A

>  <Target> (93)
Bcr-Abl,Ephrin receptor,Raf,Src

>  <Form> (93)
free base

>  <CAS> (93)
940310-85-0

>  <URL> (93)
http://selleckchem.com/products/NVP-BHG712.html

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PIK-293

>  <Synonyms> (94)
N/A

>  <Target> (94)
PI3K

>  <Form> (94)
free base

>  <CAS> (94)
900185-01-5

>  <URL> (94)
http://selleckchem.com/products/PIK-293.html

$$$$
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M  END
>  <Mol_ID> (95)
675

>  <Formula> (95)
C16H16N6O

>  <MolWeight> (95)
308.33784

>  <Cat> (95)
S2218

>  <Name> (95)
Torkinib (PP242)

>  <Synonyms> (95)
N/A

>  <Target> (95)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (95)
free base

>  <CAS> (95)
1092351-67-1

>  <URL> (95)
http://selleckchem.com/products/PP242.html

$$$$
SB 590885.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (96)
677

>  <Formula> (96)
C27H27N5O2

>  <MolWeight> (96)
453.53558

>  <Cat> (96)
S2220

>  <Name> (96)
SB590885

>  <Synonyms> (96)
N/A

>  <Target> (96)
Raf

>  <Form> (96)
free base

>  <CAS> (96)
405554-55-4

>  <URL> (96)
http://selleckchem.com/products/SB590885.html

$$$$
Andrographolide.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (97)
684

>  <Formula> (97)
C20H30O5

>  <MolWeight> (97)
350.4492

>  <Cat> (97)
S2261

>  <Name> (97)
Andrographolide

>  <Synonyms> (97)
N/A

>  <Target> (97)
NF-¦ÊB

>  <Form> (97)
free base

>  <CAS> (97)
5508-58-7

>  <URL> (97)
http://selleckchem.com/products/Andrographolide.html

$$$$
Asiatic acid.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (98)
688

>  <Formula> (98)
C30H48O5

>  <MolWeight> (98)
488.69912

>  <Cat> (98)
S2266

>  <Name> (98)
Asiatic Acid

>  <Synonyms> (98)
Dammarolic acid, Asiantic acid

>  <Target> (98)
p38 MAPK

>  <Form> (98)
free base

>  <CAS> (98)
464-92-6

>  <URL> (98)
http://selleckchem.com/products/Asiatic-acid.html

$$$$
Cryptotanshinone.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (99)
701

>  <Formula> (99)
C19H20O3

>  <MolWeight> (99)
296.3603

>  <Cat> (99)
S2285

>  <Name> (99)
Cryptotanshinone

>  <Synonyms> (99)
Tanshinone C

>  <Target> (99)
Apoptosis related,Autophagy,STAT

>  <Form> (99)
free base

>  <CAS> (99)
35825-57-1

>  <URL> (99)
http://selleckchem.com/products/Cryptotanshinone.html

$$$$
Honokiol.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (100)
720

>  <Formula> (100)
C18H18O2

>  <MolWeight> (100)
266.33432

>  <Cat> (100)
S2310

>  <Name> (100)
Honokiol (NSC 293100)

>  <Synonyms> (100)
N/A

>  <Target> (100)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (100)
free base

>  <CAS> (100)
35354-74-6

>  <URL> (100)
http://selleckchem.com/products/Honokiol.html

$$$$
Indole-3-carbinol.cdx
csChFnd80/09292414072D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (101)
723

>  <Formula> (101)
C9H9NO

>  <MolWeight> (101)
147.17386

>  <Cat> (101)
S2313

>  <Name> (101)
Indole-3-carbinol

>  <Synonyms> (101)
N/A

>  <Target> (101)
NF-¦ÊB

>  <Form> (101)
free base

>  <CAS> (101)
700-06-1

>  <URL> (101)
http://selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (102)
729

>  <Formula> (102)
C18H18O2

>  <MolWeight> (102)
266.33432

>  <Cat> (102)
S2321

>  <Name> (102)
Magnolol

>  <Synonyms> (102)
NSC 293099

>  <Target> (102)
Fungal,NF-¦ÊB

>  <Form> (102)
free base

>  <CAS> (102)
528-43-8

>  <URL> (102)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Myricetin.cdx
csChFnd80/09292414072D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (103)
732

>  <Formula> (103)
C15H10O8

>  <MolWeight> (103)
318.2351

>  <Cat> (103)
S2326

>  <Name> (103)
Myricetin

>  <Synonyms> (103)
Cannabiscetin

>  <Target> (103)
MEK

>  <Form> (103)
free base

>  <CAS> (103)
529-44-2

>  <URL> (103)
http://selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/09292414072D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (104)
733

>  <Formula> (104)
C21H20O12

>  <MolWeight> (104)
464.3763

>  <Cat> (104)
S2327

>  <Name> (104)
Myricitrin

>  <Synonyms> (104)
Myricitrine

>  <Target> (104)
PKC

>  <Form> (104)
free base

>  <CAS> (104)
17912-87-7

>  <URL> (104)
http://selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (105)
744

>  <Formula> (105)
C15H20O3

>  <MolWeight> (105)
248.3175

>  <Cat> (105)
S2341

>  <Name> (105)
(-)-Parthenolide

>  <Synonyms> (105)
N/A

>  <Target> (105)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (105)
free base

>  <CAS> (105)
20554-84-1

>  <URL> (105)
http://selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Dihydromyricetin.cdx
csChFnd80/09292414072D

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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
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 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (106)
754

>  <Formula> (106)
C15H12O8

>  <MolWeight> (106)
320.25098

>  <Cat> (106)
S2399

>  <Name> (106)
Dihydromyricetin

>  <Synonyms> (106)
Ampeloptin

>  <Target> (106)
GABA Receptor,ROS

>  <Form> (106)
free base

>  <CAS> (106)
27200-12-0

>  <URL> (106)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Chrysophanic acid.cdx
csChFnd80/09292414072D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (107)
758

>  <Formula> (107)
C15H10O4

>  <MolWeight> (107)
254.2375

>  <Cat> (107)
S2406

>  <Name> (107)
Chrysophanic Acid

>  <Synonyms> (107)
Chrysophanol

>  <Target> (107)
EGFR,mTOR

>  <Form> (107)
free base

>  <CAS> (107)
481-74-3

>  <URL> (107)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/09292414072D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
797

>  <Formula> (108)
C25H17F2N5O3S

>  <MolWeight> (108)
505.4959864

>  <Cat> (108)
S2658

>  <Name> (108)
Omipalisib (GSK2126458)

>  <Synonyms> (108)
GSK458

>  <Target> (108)
Autophagy,mTOR,PI3K

>  <Form> (108)
free base

>  <CAS> (108)
1086062-66-9

>  <URL> (108)
http://selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
827

>  <Formula> (109)
C22H18FN7O

>  <MolWeight> (109)
415.4230232

>  <Cat> (109)
S2226

>  <Name> (109)
Idelalisib

>  <Synonyms> (109)
CAL-101, GS-1101

>  <Target> (109)
Autophagy,PI3K

>  <Form> (109)
free base

>  <CAS> (109)
870281-82-6

>  <URL> (109)
http://selleckchem.com/products/CAL-101.html

$$$$
PIK-294.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (110)
829

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C28H23N7O2

>  <MolWeight> (110)
489.52792

>  <Cat> (110)
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PIK-294

>  <Synonyms> (110)
N/A

>  <Target> (110)
PI3K

>  <Form> (110)
free base

>  <CAS> (110)
900185-02-6

>  <URL> (110)
http://selleckchem.com/products/PIK-294.html

$$$$
Neohesperidin.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (111)
832

>  <Formula> (111)
C28H34O15

>  <MolWeight> (111)
610.56056

>  <Cat> (111)
S2332

>  <Name> (111)
Neohesperidin

>  <Synonyms> (111)
NSC 31048

>  <Target> (111)
ROS

>  <Form> (111)
free base

>  <CAS> (111)
13241-33-3

>  <URL> (111)
http://selleckchem.com/products/Neohesperidin.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (112)
835

>  <Formula> (112)
C10H16ClN5

>  <MolWeight> (112)
241.72054

>  <Cat> (112)
S2542

>  <Name> (112)
Phenformin (NSC-756501) HCl

>  <Synonyms> (112)
Phenethylbiguanide HCl

>  <Target> (112)
AMPK

>  <Form> (112)
Hydrochloride

>  <CAS> (112)
834-28-6

>  <URL> (112)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (113)
840

>  <Formula> (113)
C21H22N6O3

>  <MolWeight> (113)
406.43778

>  <Cat> (113)
S2624

>  <Name> (113)
OSI-027

>  <Synonyms> (113)
ASP4786, CERC 006, AEVI-006

>  <Target> (113)
Autophagy,mTOR

>  <Form> (113)
free base

>  <CAS> (113)
936890-98-1

>  <URL> (113)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (114)
841

>  <Formula> (114)
C17H17N7

>  <MolWeight> (114)
319.36378

>  <Cat> (114)
S2622

>  <Name> (114)
PP121

>  <Synonyms> (114)
N/A

>  <Target> (114)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (114)
free base

>  <CAS> (114)
1092788-83-4

>  <URL> (114)
http://selleckchem.com/products/PP121.html

$$$$
BKM-120.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (115)
850

>  <Formula> (115)
C18H21F3N6O2

>  <MolWeight> (115)
410.3935496

>  <Cat> (115)
S2247

>  <Name> (115)
Buparlisib (BKM120)

>  <Synonyms> (115)
NVP-BKM120

>  <Target> (115)
Apoptosis related,PI3K

>  <Form> (115)
free base

>  <CAS> (115)
944396-07-0

>  <URL> (115)
http://selleckchem.com/products/BKM-120.html

$$$$
TAK733.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (116)
855

>  <Formula> (116)
C17H15F2IN4O4

>  <MolWeight> (116)
504.2266764

>  <Cat> (116)
S2617

>  <Name> (116)
TAK-733

>  <Synonyms> (116)
N/A

>  <Target> (116)
MEK

>  <Form> (116)
free base

>  <CAS> (116)
1035555-63-5

>  <URL> (116)
http://selleckchem.com/products/tak-733.html

$$$$
CCT128930.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (117)
857

>  <Formula> (117)
C18H20ClN5

>  <MolWeight> (117)
341.8379

>  <Cat> (117)
S2635

>  <Name> (117)
CCT128930

>  <Synonyms> (117)
N/A

>  <Target> (117)
Akt,Apoptosis related,Autophagy

>  <Form> (117)
free base

>  <CAS> (117)
885499-61-6

>  <URL> (117)
http://selleckchem.com/products/cct128930.html

$$$$
A66.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (123)
877

>  <Formula> (123)
C28H30N8O

>  <MolWeight> (123)
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>  <Cat> (123)
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>  <Synonyms> (123)
N/A

>  <Target> (123)
mTOR

>  <Form> (123)
free base

>  <CAS> (123)
1062159-35-6

>  <URL> (123)
http://selleckchem.com/products/way-600.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (124)
878

>  <Formula> (124)
C27H33N7O4

>  <MolWeight> (124)
519.59542

>  <Cat> (124)
S2661

>  <Name> (124)
WYE-125132 (WYE-132)

>  <Synonyms> (124)
N/A

>  <Target> (124)
mTOR

>  <Form> (124)
free base

>  <CAS> (124)
1144068-46-1

>  <URL> (124)
http://selleckchem.com/products/wye-125132.html

$$$$
TWS119.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (125)
884

>  <Formula> (125)
C18H14N4O2

>  <MolWeight> (125)
318.32936

>  <Cat> (125)
S1590

>  <Name> (125)
TWS119

>  <Synonyms> (125)
N/A

>  <Target> (125)
Autophagy,GSK-3

>  <Form> (125)
free base

>  <CAS> (125)
601514-19-6

>  <URL> (125)
http://selleckchem.com/products/TWS119.html

$$$$
937174-76-0.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (126)
886

>  <Formula> (126)
C21H27N7O3

>  <MolWeight> (126)
425.48418

>  <Cat> (126)
S1113

>  <Name> (126)
GSK690693

>  <Synonyms> (126)
N/A

>  <Target> (126)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (126)
free base

>  <CAS> (126)
937174-76-0

>  <URL> (126)
http://selleckchem.com/products/GSK690693.html

$$$$
Curcumin.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (127)
889

>  <Formula> (127)
C21H20O6

>  <MolWeight> (127)
368.3799

>  <Cat> (127)
S1848

>  <Name> (127)
Curcumin

>  <Synonyms> (127)
Diferuloylmethane, Natural Yellow 3, Turmeric yellow

>  <Target> (127)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HCV,HDAC,Histone Acetyltransferase,HIV,Influenza Virus,NF-¦ÊB,Nrf2

>  <Form> (127)
free base

>  <CAS> (127)
458-37-7

>  <URL> (127)
http://selleckchem.com/products/Curcumin.html

$$$$
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>  <Synonyms> (128)
JTP-74057, Mekinist

>  <Target> (128)
Apoptosis related,Autophagy,MEK

>  <Form> (128)
free base

>  <CAS> (128)
871700-17-3

>  <URL> (128)
http://selleckchem.com/products/gsk1120212-jtp-74057.html

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A-769662

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N/A

>  <Target> (129)
AMPK,Fatty Acid Synthase

>  <Form> (129)
free base

>  <CAS> (129)
844499-71-4

>  <URL> (129)
http://selleckchem.com/products/a-769662.html

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Zinc00581684

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Raf

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free base

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208260-29-1

>  <URL> (130)
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>  <Mol_ID> (132)
916

>  <Formula> (132)
C23H30N8O3S

>  <MolWeight> (132)
498.6011

>  <Cat> (132)
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>  <Name> (132)
Apitolisib (GDC-0980)

>  <Synonyms> (132)
RG7422, GNE 390

>  <Target> (132)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (132)
free base

>  <CAS> (132)
1032754-93-0

>  <URL> (132)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
PH797804.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (133)
925

>  <Formula> (133)
C22H19BrF2N2O3

>  <MolWeight> (133)
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>  <Cat> (133)
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>  <Name> (133)
PH-797804

>  <Synonyms> (133)
N/A

>  <Target> (133)
p38 MAPK

>  <Form> (133)
free base

>  <CAS> (133)
586379-66-0

>  <URL> (133)
http://selleckchem.com/products/ph-797804.html

$$$$
SB415286.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (134)
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>  <Formula> (134)
C16H10ClN3O5

>  <MolWeight> (134)
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>  <Cat> (134)
S2729

>  <Name> (134)
SB415286

>  <Synonyms> (134)
N/A

>  <Target> (134)
Apoptosis related,GSK-3

>  <Form> (134)
free base

>  <CAS> (134)
264218-23-7

>  <URL> (134)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (135)
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>  <Formula> (135)
C15H15N7O

>  <MolWeight> (135)
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>  <Cat> (135)
S2811

>  <Name> (135)
Sapanisertib (MLN0128)

>  <Synonyms> (135)
INK 128,TAK-228

>  <Target> (135)
mTOR

>  <Form> (135)
free base

>  <CAS> (135)
1224844-38-5

>  <URL> (135)
http://selleckchem.com/products/ink128.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (136)
938

>  <Formula> (136)
C20H22ClN3O2

>  <MolWeight> (136)
371.86058

>  <Cat> (136)
S2627

>  <Name> (136)
Tubastatin A HCl

>  <Synonyms> (136)
TSA HCl

>  <Target> (136)
HDAC

>  <Form> (136)
Hydrochloride

>  <CAS> (136)
1310693-92-5

>  <URL> (136)
http://selleckchem.com/products/tubastatin-a-hcl.html

$$$$
PF-04691502.cdx
csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
940

>  <Formula> (137)
C22H27N5O4

>  <MolWeight> (137)
425.48088

>  <Cat> (137)
S2743

>  <Name> (137)
PF-04691502

>  <Synonyms> (137)
PF4691502

>  <Target> (137)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (137)
free base

>  <CAS> (137)
1013101-36-4

>  <URL> (137)
http://selleckchem.com/products/pf-04691502.html

$$$$
Idebenone.cdx
csChFnd80/09292414072D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
987

>  <Formula> (138)
C19H30O5

>  <MolWeight> (138)
338.4385

>  <Cat> (138)
S2605

>  <Name> (138)
Idebenone

>  <Synonyms> (138)
CV-2619

>  <Target> (138)
ROS

>  <Form> (138)
free base

>  <CAS> (138)
58186-27-9

>  <URL> (138)
http://selleckchem.com/products/idebenone.html

$$$$
Sodium salicylate.cdx
csChFnd80/09292414072D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (139)
1016

>  <Formula> (139)
C7H6NaO3

>  <MolWeight> (139)
161.11051

>  <Cat> (139)
S3137

>  <Name> (139)
Sodium salicylate

>  <Synonyms> (139)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (139)
NF-¦ÊB

>  <Form> (139)
sodium salt

>  <CAS> (139)
54-21-7

>  <URL> (139)
http://selleckchem.com/products/sodium-salicylate.html

$$$$
AZD 6482.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (140)
1041

>  <Formula> (140)
C22H24N4O4

>  <MolWeight> (140)
408.45036

>  <Cat> (140)
S1462

>  <Name> (140)
AZD6482

>  <Synonyms> (140)
KIN-193

>  <Target> (140)
PI3K

>  <Form> (140)
free base

>  <CAS> (140)
1173900-33-8

>  <URL> (140)
http://selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/09292414072D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
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 15 24  2  0  0  0  0
 19 24  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
>  <Mol_ID> (141)
1047

>  <Formula> (141)
C19H14N2O2S

>  <MolWeight> (141)
334.39166

>  <Cat> (141)
S2823

>  <Name> (141)
Tideglusib (NP031112)

>  <Synonyms> (141)
NP-12

>  <Target> (141)
COVID-19,GSK-3

>  <Form> (141)
free base

>  <CAS> (141)
865854-05-3

>  <URL> (141)
http://selleckchem.com/products/tideglusib.html

$$$$
Schisandrin B.cdx
csChFnd80/09292414072D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.6194    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    2.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9451    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    5.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    5.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6148    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    5.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    7.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3074    5.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445    1.1989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9585    7.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1936    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288    9.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9810    8.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 14  1  0  0  0  0
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 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
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 18 25  1  6  0  0  0
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 23 24  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (142)
1086

>  <Formula> (142)
C23H28O6

>  <MolWeight> (142)
400.46482

>  <Cat> (142)
S3600

>  <Name> (142)
Schisandrin B (Sch B)

>  <Synonyms> (142)
N/A

>  <Target> (142)
ATM/ATR,P-gp

>  <Form> (142)
free base

>  <CAS> (142)
61281-37-6

>  <URL> (142)
http://selleckchem.com/products/schisandrin-b.html

$$$$
Triptolide.cdx
csChFnd80/09292414072D

 27 33  0  0  0  0  0  0  0  0999 V2000
    6.1099    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3399    3.6242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1099    5.7263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8800    3.6242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.3399    6.4242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8800    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6502    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7777    6.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8156    5.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777    7.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782    1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  1  0  0  0
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  6 13  1  1  0  0  0
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  8 12  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 16  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
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 22 23  1  0  0  0  0
  3 26  1  1  0  0  0
  1 26  1  1  0  0  0
  4 27  1  1  0  0  0
M  END
>  <Mol_ID> (143)
1102

>  <Formula> (143)
C20H24O6

>  <MolWeight> (143)
360.40096

>  <Cat> (143)
S3604

>  <Name> (143)
Triptolide (PG490)

>  <Synonyms> (143)
NSC 163062

>  <Target> (143)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (143)
free base

>  <CAS> (143)
38748-32-2

>  <URL> (143)
http://selleckchem.com/products/triptolide.html

$$$$
BI-D1870.cdx
csChFnd80/09292414072D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
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 20 14  1  0  0  0  0
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M  END
>  <Mol_ID> (144)
1108

>  <Formula> (144)
C19H23F2N5O2

>  <MolWeight> (144)
391.4150264

>  <Cat> (144)
S2843

>  <Name> (144)
BI-D1870

>  <Synonyms> (144)
N/A

>  <Target> (144)
Autophagy,ROS,S6 Kinase

>  <Form> (144)
free base

>  <CAS> (144)
501437-28-1

>  <URL> (144)
http://selleckchem.com/products/bi-d1870.html

$$$$
Go 6983.cdx
csChFnd80/09292414072D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (145)
1133

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C26H26N4O3

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HIF

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free base

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931398-72-0

>  <URL> (146)
http://selleckchem.com/products/iox2.html

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TAK-715

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N/A

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p38 MAPK

>  <Form> (147)
free base

>  <CAS> (147)
303162-79-0

>  <URL> (147)
http://selleckchem.com/products/tak-715.html

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free base

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327036-89-5

>  <URL> (148)
http://selleckchem.com/products/tdzd-8.html

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H 89 2HCl

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Autophagy,PKA,PKG,S6 Kinase

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130964-39-5

>  <URL> (149)
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M  END
>  <Mol_ID> (151)
1233

>  <Formula> (151)
C9H14N4O5

>  <MolWeight> (151)
258.23126

>  <Cat> (151)
S1802

>  <Name> (151)
AICAR (Acadesine)

>  <Synonyms> (151)
NSC105823, AICA Riboside

>  <Target> (151)
AMPK,Mitophagy

>  <Form> (151)
free base

>  <CAS> (151)
2627-69-2

>  <URL> (151)
http://selleckchem.com/products/Acadesine.html

$$$$
PF-04708671.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (152)
1237

>  <Formula> (152)
C19H21F3N6

>  <MolWeight> (152)
390.4054496

>  <Cat> (152)
S2163

>  <Name> (152)
PF-4708671

>  <Synonyms> (152)
N/A

>  <Target> (152)
Autophagy,S6 Kinase

>  <Form> (152)
free base

>  <CAS> (152)
1255517-76-0

>  <URL> (152)
http://selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (153)
1242

>  <Formula> (153)
C16H12F3N3S

>  <MolWeight> (153)
335.3467896

>  <Cat> (153)
S1066

>  <Name> (153)
SL-327

>  <Synonyms> (153)
N/A

>  <Target> (153)
MEK

>  <Form> (153)
free base

>  <CAS> (153)
305350-87-2

>  <URL> (153)
http://selleckchem.com/products/SL327.html

$$$$
JNK-IN-8.cdx
csChFnd80/09292414072D

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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (154)
1256

>  <Formula> (154)
C29H29N7O2

>  <MolWeight> (154)
507.58626

>  <Cat> (154)
S4901

>  <Name> (154)
JNK-IN-8

>  <Synonyms> (154)
JNK Inhibitor XVI

>  <Target> (154)
JNK

>  <Form> (154)
free base

>  <CAS> (154)
1410880-22-6

>  <URL> (154)
http://selleckchem.com/products/jnk-in-8.html

$$$$
QNZ.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (155)
1258

>  <Formula> (155)
C22H20N4O

>  <MolWeight> (155)
356.4204

>  <Cat> (155)
S4902

>  <Name> (155)
QNZ (EVP4593)

>  <Synonyms> (155)
N/A

>  <Target> (155)
NF-¦ÊB,TNF-alpha

>  <Form> (155)
free base

>  <CAS> (155)
545380-34-5

>  <URL> (155)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/09292414072D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (156)
1280

>  <Formula> (156)
C7H6NNaO3

>  <MolWeight> (156)
175.11721

>  <Cat> (156)
S4073

>  <Name> (156)
Sodium 4-Aminosalicylate

>  <Synonyms> (156)
N/A

>  <Target> (156)
NF-¦ÊB

>  <Form> (156)
Sodium Salt

>  <CAS> (156)
6018-19-5

>  <URL> (156)
http://selleckchem.com/products/aminosalicylate-sodium.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/09292414072D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1307

>  <Formula> (157)
C10H11NaO2

>  <MolWeight> (157)
186.18291

>  <Cat> (157)
S4125

>  <Name> (157)
Sodium Phenylbutyrate

>  <Synonyms> (157)
4-PBA, 4-Phenylbutyric acid, NaPB

>  <Target> (157)
HDAC

>  <Form> (157)
Sodium Salt

>  <CAS> (157)
1716-12-7

>  <URL> (157)
http://selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
nifuroxazide.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    4.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3333    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1342

>  <Formula> (158)
C12H9N3O5

>  <MolWeight> (158)
275.21696

>  <Cat> (158)
S4182

>  <Name> (158)
Nifuroxazide

>  <Synonyms> (158)
N/A

>  <Target> (158)
STAT

>  <Form> (158)
free base

>  <CAS> (158)
965-52-6

>  <URL> (158)
http://selleckchem.com/products/nifuroxazide.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/09292414072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1353

>  <Formula> (159)
C16H19N3O4S

>  <MolWeight> (159)
349.40476

>  <Cat> (159)
S2693

>  <Name> (159)
Resminostat

>  <Synonyms> (159)
RAS2410

>  <Target> (159)
HDAC

>  <Form> (159)
free base

>  <CAS> (159)
864814-88-0

>  <URL> (159)
http://selleckchem.com/products/resminostat-ras2410.html

$$$$
VX-745.cdx
csChFnd80/09292414072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 13 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1433

>  <Formula> (160)
C19H9Cl2F2N3OS

>  <MolWeight> (160)
436.2620664

>  <Cat> (160)
S1458

>  <Name> (160)
Neflamapimod (VX-745)

>  <Synonyms> (160)
N/A

>  <Target> (160)
p38 MAPK

>  <Form> (160)
free base

>  <CAS> (160)
209410-46-8

>  <URL> (160)
http://selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/09292414072D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8425    1.2140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3420    2.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4421    3.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    2.6157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9912    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2908    4.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0775    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    3.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    4.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  2  0  0  0  0
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 16  9  1  0  0  0  0
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  5  8  1  1  0  0  0
  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (161)
1434

>  <Formula> (161)
C13H16N6O4

>  <MolWeight> (161)
320.30394

>  <Cat> (161)
S1117

>  <Name> (161)
Triciribine (NSC 154020)

>  <Synonyms> (161)
VD-0002, vqd-002, API-2, TCN

>  <Target> (161)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (161)
free base

>  <CAS> (161)
35943-35-2

>  <URL> (161)
http://selleckchem.com/products/Triciribine.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (162)
1475

>  <Formula> (162)
C19H20F3IN2O5S

>  <MolWeight> (162)
572.3371796

>  <Cat> (162)
S1089

>  <Name> (162)
Refametinib (RDEA119)

>  <Synonyms> (162)
Bay 86-9766

>  <Target> (162)
MEK

>  <Form> (162)
free base

>  <CAS> (162)
923032-37-5

>  <URL> (162)
http://selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
1490

>  <Formula> (163)
C19H12O6

>  <MolWeight> (163)
336.29498

>  <Cat> (163)
S4299

>  <Name> (163)
Dicoumarol

>  <Synonyms> (163)
Dicumarol

>  <Target> (163)
PDHK

>  <Form> (163)
free base

>  <CAS> (163)
66-76-2

>  <URL> (163)
http://selleckchem.com/products/dicoumarol.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/09292414072D

 58 61  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (164)
1502

>  <Formula> (164)
C44H69NO12

>  <MolWeight> (164)
804.01816

>  <Cat> (164)
S5003

>  <Name> (164)
Tacrolimus (FK506)

>  <Synonyms> (164)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (164)
Autophagy,FKBP,phosphatase

>  <Form> (164)
free base

>  <CAS> (164)
104987-11-3

>  <URL> (164)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (165)
1505

>  <Formula> (165)
C56H87NO16

>  <MolWeight> (165)
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>  <Cat> (165)
S1044

>  <Name> (165)
Temsirolimus (CCI-779)

>  <Synonyms> (165)
NSC 683864,CCI-779

>  <Target> (165)
Apoptosis related,Autophagy,mTOR

>  <Form> (165)
free base

>  <CAS> (165)
162635-04-3

>  <URL> (165)
http://selleckchem.com/products/Temsirolimus.html

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PF-2341066.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (166)
1517

>  <Formula> (166)
C21H22Cl2FN5O

>  <MolWeight> (166)
450.3366832

>  <Cat> (166)
S1068

>  <Name> (166)
Crizotinib (PF-02341066)

>  <Synonyms> (166)
PF-02341066

>  <Target> (166)
ALK,Autophagy,c-Met,ROS1

>  <Form> (166)
free base

>  <CAS> (166)
877399-52-5

>  <URL> (166)
http://selleckchem.com/products/PF-2341066.html

$$$$
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1526

>  <Formula> (167)
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>  <MolWeight> (167)
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>  <Cat> (167)
S1096

>  <Name> (167)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (167)
N/A

>  <Target> (167)
HDAC

>  <Form> (167)
Dihydrochloride

>  <CAS> (167)
875320-31-3

>  <URL> (167)
http://selleckchem.com/products/JNJ-26481585.html

$$$$
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   13.3354    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9727    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9727    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1851    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6941    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7635    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8268    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1559    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 19  2  0  0  0  0
 29 31  1  0  0  0  0
  7 32  3  0  0  0  0
M  END
>  <Mol_ID> (168)
1529

>  <Formula> (168)
C22H18Cl2N8

>  <MolWeight> (168)
465.33792

>  <Cat> (168)
S1263

>  <Name> (168)
Laduviglusib (CHIR-99021)

>  <Synonyms> (168)
CT99021

>  <Target> (168)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (168)
free base

>  <CAS> (168)
252917-06-9

>  <URL> (168)
http://selleckchem.com/products/CHIR-99021.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/09292414072D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (169)
1538

>  <Formula> (169)
C12H11N5

>  <MolWeight> (169)
225.24924

>  <Cat> (169)
S4511

>  <Name> (169)
6-Benzylaminopurine

>  <Synonyms> (169)
N/A

>  <Target> (169)
ROS

>  <Form> (169)
free base

>  <CAS> (169)
1214-39-7

>  <URL> (169)
http://selleckchem.com/products/6-benzylaminopurine.html

$$$$
S4603 Gallic acid.cdx
csChFnd80/09292414072D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (170)
1607

>  <Formula> (170)
C7H6O5

>  <MolWeight> (170)
170.11954

>  <Cat> (170)
S4603

>  <Name> (170)
Gallic acid

>  <Synonyms> (170)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (170)
ROS

>  <Form> (170)
free base

>  <CAS> (170)
149-91-7

>  <URL> (170)
http://selleckchem.com/products/gallic-acid.html

$$$$
S4715 Benzamide.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1666

>  <Formula> (171)
C7H7NO

>  <MolWeight> (171)
121.13658

>  <Cat> (171)
S4715

>  <Name> (171)
Benzamide

>  <Target> (171)
PARP

>  <Form> (171)
free base

>  <CAS> (171)
55-21-0

>  <URL> (171)
http://selleckchem.com/products/benzamide.html

$$$$
S4710 Picolinamide.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (172)
1675

>  <Formula> (172)
C6H6N2O

>  <MolWeight> (172)
122.12464

>  <Cat> (172)
S4710

>  <Name> (172)
Picolinamide

>  <Synonyms> (172)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (172)
PARP

>  <Form> (172)
free base

>  <CAS> (172)
1452-77-3

>  <URL> (172)
http://selleckchem.com/products/picolinamide.html

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1676

>  <Formula> (173)
C15H14O6

>  <MolWeight> (173)
290.26806

>  <Cat> (173)
S4723

>  <Name> (173)
(-)Epicatechin

>  <Synonyms> (173)
L-Epicatechin, (-)-Epicatechol

>  <Target> (173)
Antioxidant

>  <Form> (173)
free base

>  <CAS> (173)
490-46-0

>  <URL> (173)
http://selleckchem.com/products/-epicatechin.html

$$$$
MK4827.cdx
csChFnd80/09292414072D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1680

>  <Formula> (174)
C19H20N4O

>  <MolWeight> (174)
320.3883

>  <Cat> (174)
S2741

>  <Name> (174)
Niraparib (MK-4827)

>  <Target> (174)
Apoptosis related,PARP

>  <Form> (174)
Free Base

>  <CAS> (174)
1038915-60-4

>  <URL> (174)
http://selleckchem.com/products/mk-4827.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09292414072D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   16.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   12.9846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3875   17.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9012   10.9398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2257   12.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4433   11.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0079   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   18.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5439   10.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5893    9.7498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0079   13.0128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2257   10.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1420   13.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8656    9.7498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9012    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9462    9.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   12.3062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0079   10.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    9.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5439    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6169    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   10.8840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5725   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   13.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7369    8.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8282    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   10.1683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3548   12.2784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7981    7.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3548   10.9120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8661    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   12.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4222    7.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0814   10.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7981    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8989    5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3945    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3215    5.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497    3.0665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6139    1.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9367    4.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193    1.3587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6038    0.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    3.6210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3266    2.2843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9817    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    6.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 65  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8 12  1  0  0  0  0
 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  6  0  0  0
 23 29  1  0  0  0  0
 23 66  1  6  0  0  0
 24 30  1  0  0  0  0
 26 31  1  1  0  0  0
 26 32  1  0  0  0  0
 27 33  1  1  0  0  0
 27 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 36  1  1  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  6  0  0  0
 34 39  1  0  0  0  0
 34 67  1  6  0  0  0
 35 40  1  0  0  0  0
 41 37  1  1  0  0  0
 39 42  1  0  0  0  0
 39 43  1  1  0  0  0
 40 44  1  6  0  0  0
 40 42  1  0  0  0  0
 41 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  1  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  6  0  0  0
 48 51  1  0  0  0  0
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  6  0  0  0
 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
 60 63  1  1  0  0  0
 60 61  1  0  0  0  0
 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (175)
1721

>  <Formula> (175)
C48H78O19

>  <MolWeight> (175)
959.12152

>  <Cat> (175)
S3616

>  <Name> (175)
Asiaticoside

>  <Synonyms> (175)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (175)
ROS

>  <Form> (175)
free base

>  <CAS> (175)
16830-15-2

>  <URL> (175)
http://selleckchem.com/products/asiaticoside.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/09292414072D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (176)
1723

>  <Formula> (176)
C5H12N2S2

>  <MolWeight> (176)
164.29218

>  <Cat> (176)
S3633

>  <Name> (176)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (176)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (176)
NF-¦ÊB

>  <Form> (176)
ammonium salt

>  <CAS> (176)
5108-96-3

>  <URL> (176)
http://selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09292414072D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1744

>  <Formula> (177)
C11H8O3

>  <MolWeight> (177)
188.17942

>  <Cat> (177)
S3661

>  <Name> (177)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (177)
N/A

>  <Target> (177)
PKC

>  <Form> (177)
free base

>  <CAS> (177)
2348-82-5

>  <URL> (177)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (178)
1831

>  <Formula> (178)
C16H14O4

>  <MolWeight> (178)
270.27996

>  <Cat> (178)
S3867

>  <Name> (178)
(E)-Cardamonin

>  <Synonyms> (178)
Alpinetin chalcone, cardamomin

>  <Target> (178)
NF-¦ÊB,TRP Channel

>  <Form> (178)
free base

>  <CAS> (178)
19309-14-9

>  <URL> (178)
http://selleckchem.com/products/e-cardamoni.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09292414072D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
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 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (179)
1842

>  <Formula> (179)
C19H20O5

>  <MolWeight> (179)
328.3591

>  <Cat> (179)
S3819

>  <Name> (179)
Decursinol angelate

>  <Synonyms> (179)
N/A

>  <Target> (179)
PKC

>  <Form> (179)
free base

>  <CAS> (179)
130848-06-5

>  <URL> (179)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
S3838 Carnosic acid.cdx
csChFnd80/09292414072D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8345    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    3.4901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.2389    5.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    6.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    6.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0439    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4271    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2096    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117    2.7724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  7  1  0  0  0  0
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  3 25  1  1  0  0  0
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  5 12  2  0  0  0  0
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  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 13 20  2  0  0  0  0
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 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (180)
1856

>  <Formula> (180)
C20H28O4

>  <MolWeight> (180)
332.43392

>  <Cat> (180)
S3838

>  <Name> (180)
Carnosic acid

>  <Synonyms> (180)
Salvin

>  <Target> (180)
ROS

>  <Form> (180)
free base

>  <CAS> (180)
3650-09-7

>  <URL> (180)
http://selleckchem.com/products/carnosic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/09292414072D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (181)
1857

>  <Formula> (181)
C27H30O10

>  <MolWeight> (181)
514.5211

>  <Cat> (181)
S3840

>  <Name> (181)
Baohuoside I

>  <Synonyms> (181)
Icariside II

>  <Target> (181)
ROS

>  <CAS> (181)
113558-15-9

>  <URL> (181)
http://selleckchem.com/products/baohuoside-i.html

$$$$
S3885 Pyrogallol.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (182)
1902

>  <Formula> (182)
C6H6O3

>  <MolWeight> (182)
126.11004

>  <Cat> (182)
S3885

>  <Name> (182)
Pyrogallol

>  <Synonyms> (182)
1,2,3-trihydroxybenzene

>  <Target> (182)
ROS

>  <Form> (182)
free base

>  <CAS> (182)
87-66-1

>  <URL> (182)
http://selleckchem.com/products/pyrogallol.html

$$$$
S3874 Curcumenol.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (183)
1909

>  <Formula> (183)
C15H22O2

>  <MolWeight> (183)
234.33398

>  <Cat> (183)
S3874

>  <Name> (183)
Curcumenol

>  <Synonyms> (183)
N/A

>  <Target> (183)
NF-¦ÊB,P450 (e.g. CYP17)

>  <Form> (183)
free base

>  <CAS> (183)
19431-84-6

>  <URL> (183)
http://selleckchem.com/products/curcumenol.html

$$$$
Torin 1.cdx
csChFnd80/09292414072D

 45 51  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (184)
1954

>  <Formula> (184)
C35H28F3N5O2

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Torin 1

>  <Synonyms> (184)
N/A

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Autophagy,mTOR

>  <Form> (184)
Free Base

>  <CAS> (184)
1222998-36-8

>  <URL> (184)
http://selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (185)
1959

>  <Formula> (185)
C12H10N6O

>  <MolWeight> (185)
254.2474

>  <Cat> (185)
S2870

>  <Name> (185)
TG100713

>  <Synonyms> (185)
N/A

>  <Target> (185)
PI3K

>  <Form> (185)
Free Base

>  <CAS> (185)
925705-73-3

>  <URL> (185)
http://selleckchem.com/products/tg-100713.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (186)
1964

>  <Formula> (186)
C18H18N2O4

>  <MolWeight> (186)
326.34652

>  <Cat> (186)
S8043

>  <Name> (186)
Scriptaid

>  <Synonyms> (186)
GCK 1026

>  <Target> (186)
HDAC

>  <Form> (186)
free base

>  <CAS> (186)
287383-59-9

>  <URL> (186)
http://selleckchem.com/products/scriptaid.html

$$$$
CGK 733.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (187)
1976

>  <Formula> (187)
C23H18Cl3FN4O3S

>  <MolWeight> (187)
555.8364232

>  <Cat> (187)
S7136

>  <Name> (187)
CGK 733

>  <Synonyms> (187)
N/A

>  <Target> (187)
ATM/ATR

>  <Form> (187)
free base

>  <CAS> (187)
905973-89-9

>  <URL> (187)
http://selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (188)
1986

>  <Formula> (188)
C18H32ClN3O8P2

>  <MolWeight> (188)
515.862502

>  <Cat> (188)
S4157

>  <Name> (188)
Chloroquine diphosphate

>  <Synonyms> (188)
N/A

>  <Target> (188)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (188)
diphosphate

>  <CAS> (188)
50-63-5

>  <URL> (188)
http://selleckchem.com/products/chloroquine-phosphate.html

$$$$
Sodium valproate.cdx
csChFnd80/09292414072D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (189)
2205

>  <Formula> (189)
C8H15NaO2

>  <MolWeight> (189)
166.19327

>  <Cat> (189)
S1168

>  <Name> (189)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (189)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (189)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (189)
Sodium salt

>  <CAS> (189)
1069-66-5

>  <URL> (189)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
GW 5074.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (190)
2217

>  <Formula> (190)
C15H8Br2INO2

>  <MolWeight> (190)
520.94199

>  <Cat> (190)
S2872

>  <Name> (190)
GW5074

>  <Synonyms> (190)
N/A

>  <Target> (190)
Apoptosis related,Raf

>  <Form> (190)
free base

>  <CAS> (190)
220904-83-6

>  <URL> (190)
http://selleckchem.com/products/gw5074.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (191)
2225

>  <Formula> (191)
C15H14O6

>  <MolWeight> (191)
290.26806

>  <Cat> (191)
S4722

>  <Name> (191)
(+)-Catechin

>  <Synonyms> (191)
Cianidanol, Catechinic acid, Catechuic acid, Catechin

>  <Target> (191)
Antioxidant

>  <Form> (191)
free base

>  <CAS> (191)
154-23-4

>  <URL> (191)
http://selleckchem.com/products/catechin.html

$$$$
untitled.cdx
csChFnd80/09292414072D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8114    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (192)
2234

>  <Formula> (192)
C21H46NO4P

>  <MolWeight> (192)
407.568001

>  <Cat> (192)
S3056

>  <Name> (192)
Miltefosine

>  <Synonyms> (192)
Hexadecylphosphocholine

>  <Target> (192)
Akt

>  <Form> (192)
free base

>  <CAS> (192)
58066-85-6

>  <URL> (192)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/09292414072D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.8637    4.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8643    6.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 12  9  2  0  0  0  0
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 19 11  1  0  0  0  0
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 18 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (193)
2239

>  <Formula> (193)
C17H15NO3

>  <MolWeight> (193)
281.3059

>  <Cat> (193)
S2893

>  <Name> (193)
NU7026

>  <Synonyms> (193)
LY293646

>  <Target> (193)
Apoptosis related,DNA-PK,PI3K

>  <Form> (193)
Free Base

>  <CAS> (193)
154447-35-5

>  <URL> (193)
http://selleckchem.com/products/nu7026.html

$$$$
VE-821.cdx
csChFnd80/09292414072D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
2307

>  <Formula> (203)
C22H22FN3O3

>  <MolWeight> (203)
395.4267832

>  <Cat> (203)
S7029

>  <Name> (203)
AZD2461

>  <Synonyms> (203)
N/A

>  <Target> (203)
PARP

>  <Form> (203)
free base

>  <CAS> (203)
1174043-16-3

>  <URL> (203)
http://selleckchem.com/products/azd2461.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
2312

>  <Formula> (204)
C21H16N6O2S2

>  <MolWeight> (204)
448.52074

>  <Cat> (204)
S1118

>  <Name> (204)
XL147 analogue

>  <Synonyms> (204)
SAR245408

>  <Target> (204)
Apoptosis related,PI3K

>  <Form> (204)
Free Base

>  <CAS> (204)
956958-53-5

>  <URL> (204)
http://selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (205)
2316

>  <Formula> (205)
C16H15BrClN5O4S

>  <MolWeight> (205)
488.7434

>  <Cat> (205)
S1205

>  <Name> (205)
PIK-75 HCl

>  <Synonyms> (205)
N/A

>  <Target> (205)
DNA-PK,PI3K

>  <Form> (205)
Hydrochloride

>  <CAS> (205)
372196-77-5

>  <URL> (205)
http://selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (206)
2319

>  <Formula> (206)
C25H52NO4P

>  <MolWeight> (206)
461.658441

>  <Cat> (206)
S1037

>  <Name> (206)
Perifosine (KRX-0401)

>  <Synonyms> (206)
NSC639966, D21266

>  <Target> (206)
Akt

>  <Form> (206)
free base

>  <CAS> (206)
157716-52-4

>  <URL> (206)
http://selleckchem.com/products/Perifosine.html

$$$$
bms-707035.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (207)
2331

>  <Formula> (207)
C18H11N3O2S

>  <MolWeight> (207)
333.36384

>  <Cat> (207)
S1360

>  <Name> (207)
GSK1059615

>  <Synonyms> (207)
N/A

>  <Target> (207)
mTOR,PI3K

>  <Form> (207)
Free Base

>  <CAS> (207)
958852-01-2

>  <URL> (207)
http://selleckchem.com/products/GSK1059615.html

$$$$

csChFnd80/09292414072D

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M  END
>  <Mol_ID> (208)
2339

>  <Formula> (208)
C25H33FN6O3S

>  <MolWeight> (208)
516.6313232

>  <Cat> (208)
S1494

>  <Name> (208)
Ralimetinib (LY2228820) dimesylate

>  <Synonyms> (208)
N/A

>  <Target> (208)
p38 MAPK

>  <Form> (208)
dimesylate

>  <CAS> (208)
862507-23-1

>  <URL> (208)
http://selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/09292414072D

  7  5  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (209)
2359

>  <Formula> (209)
C4H7NaO2

>  <MolWeight> (209)
110.08695

>  <Cat> (209)
S1999

>  <Name> (209)
Sodium butyrate

>  <Synonyms> (209)
NaB, Butanoic acid sodium salt

>  <Target> (209)
Apoptosis related,Autophagy,HDAC

>  <Form> (209)
Sodium Salt

>  <CAS> (209)
156-54-7

>  <URL> (209)
http://selleckchem.com/products/Sodium-butyrate.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (210)
2379

>  <Formula> (210)
C19H12F4N4O2

>  <MolWeight> (210)
404.3177928

>  <Cat> (210)
S6005

>  <Name> (210)
VX-702

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38 MAPK

>  <Form> (210)
free base

>  <CAS> (210)
745833-23-2

>  <URL> (210)
http://selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/09292414072D

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mTOR,PI3K

>  <Form> (211)
Free Base

>  <CAS> (211)
1197160-78-3

>  <URL> (211)
http://selleckchem.com/products/pki587.html

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NU7441 (KU-57788)

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>  <Target> (212)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (212)
free base

>  <CAS> (212)
503468-95-9

>  <URL> (212)
http://selleckchem.com/products/nu7441.html

$$$$
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C17H17ClN2O5

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SC79

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N/A

>  <Target> (213)
Akt

>  <Form> (213)
free base

>  <CAS> (213)
305834-79-1

>  <URL> (213)
http://selleckchem.com/products/sc79.html

$$$$
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>  <Target> (214)
Aurora Kinase,MEK

>  <Form> (214)
free base

>  <CAS> (214)
1207293-36-4

>  <URL> (214)
http://selleckchem.com/products/bi-847325.html

$$$$
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1168091-68-6

>  <URL> (215)
http://selleckchem.com/products/gdc-0623.html

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G007-LK.cdx
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M  END
>  <Mol_ID> (219)
2446

>  <Formula> (219)
C33H44F2N2O3

>  <MolWeight> (219)
554.7108664

>  <Cat> (219)
S7672

>  <Name> (219)
Omaveloxolone (RTA-408)

>  <Synonyms> (219)
N/A

>  <Target> (219)
NF-¦ÊB,Nrf2

>  <Form> (219)
free base

>  <CAS> (219)
1474034-05-3

>  <URL> (219)
http://selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (220)
2460

>  <Formula> (220)
C24H28N8O2

>  <MolWeight> (220)
460.53152

>  <Cat> (220)
S7103

>  <Name> (220)
Taselisib (GDC 0032)

>  <Synonyms> (220)
RG7604

>  <Target> (220)
PI3K

>  <Form> (220)
free base

>  <CAS> (220)
1282512-48-4

>  <URL> (220)
http://selleckchem.com/products/gdc-0032.html

$$$$
Oleuropein.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (221)
2464

>  <Formula> (221)
C25H32O13

>  <MolWeight> (221)
540.51378

>  <Cat> (221)
S7867

>  <Name> (221)
Oleuropein

>  <Synonyms> (221)
N/A

>  <Target> (221)
Anti-infection,Apoptosis related,Aromatase,PPAR

>  <Form> (221)
free base

>  <CAS> (221)
32619-42-4

>  <URL> (221)
http://selleckchem.com/products/oleuropein.html

$$$$
SB239063.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (222)
2474

>  <Formula> (222)
C20H21FN4O2

>  <MolWeight> (222)
368.4047432

>  <Cat> (222)
S7741

>  <Name> (222)
SB239063

>  <Synonyms> (222)
N/A

>  <Target> (222)
p38 MAPK

>  <Form> (222)
free base

>  <CAS> (222)
193551-21-2

>  <URL> (222)
http://selleckchem.com/products/sb239063.html

$$$$
AZD6738.cdx
csChFnd80/09292414072D

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C20H24N6O2S

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412.50856

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S7693

>  <Name> (223)
Ceralasertib (AZD6738)

>  <Synonyms> (223)
N/A

>  <Target> (223)
ATM/ATR

>  <Form> (223)
free base

>  <CAS> (223)
1352226-88-0

>  <URL> (223)
http://selleckchem.com/products/azd6738.html

$$$$
ONC201.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (224)
2482

>  <Formula> (224)
C24H26N4O

>  <MolWeight> (224)
386.48944

>  <Cat> (224)
S7963

>  <Name> (224)
TIC10 (ONC201)

>  <Synonyms> (224)
ONC201

>  <Target> (224)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (224)
free base

>  <CAS> (224)
1616632-77-9

>  <URL> (224)
http://selleckchem.com/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (225)
2483

>  <Formula> (225)
C34H29N7O

>  <MolWeight> (225)
551.64036

>  <Cat> (225)
S7776

>  <Name> (225)
Akti-1/2

>  <Synonyms> (225)
Akt Inhibitor VIII

>  <Target> (225)
Akt,Apoptosis related

>  <Form> (225)
free base

>  <CAS> (225)
612847-09-3

>  <URL> (225)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (226)
2484

>  <Formula> (226)
C18H12BrN3O3

>  <MolWeight> (226)
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>  <Cat> (226)
S7915

>  <Name> (226)
BIO-acetoxime

>  <Synonyms> (226)
GSK-3 Inhibitor X

>  <Target> (226)
GSK-3

>  <Form> (226)
free base

>  <CAS> (226)
667463-85-6

>  <URL> (226)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/09292414072D

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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
2487

>  <Formula> (227)
C21H16FN7

>  <MolWeight> (227)
385.3970432

>  <Cat> (227)
S7813

>  <Name> (227)
AMG319

>  <Synonyms> (227)
N/A

>  <Target> (227)
PI3K

>  <Form> (227)
free base

>  <CAS> (227)
1608125-21-8

>  <URL> (227)
http://selleckchem.com/products/amg319.html

$$$$
BAY 1895344.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (228)
2492

>  <Formula> (228)
C20H22ClN7O

>  <MolWeight> (228)
411.88798

>  <Cat> (228)
S8666

>  <Name> (228)
Elimusertib (BAY-1895344) hydrochloride

>  <Synonyms> (228)
BAY-1895344 HCl

>  <Target> (228)
ATM/ATR

>  <Form> (228)
hydrochloride

>  <CAS> (228)
1876467-74-1(free base)

>  <URL> (228)
https://www.selleckchem.com/products/bay-1895344-hcl.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/09292414072D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  5 10  1  0  0  0  0
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 13  1  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (229)
2493

>  <Formula> (229)
C21H25ClN2O2

>  <MolWeight> (229)
372.8884

>  <Cat> (229)
S8483

>  <Name> (229)
CBL0137 HCl

>  <Synonyms> (229)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (229)
NF-¦ÊB,p53

>  <Form> (229)
HCl

>  <CAS> (229)
1197397-89-9

>  <URL> (229)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/09292414072D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (230)
2499

>  <Formula> (230)
C8H16O2

>  <MolWeight> (230)
144.21144

>  <Cat> (230)
S3944

>  <Name> (230)
Valproic acid (VPA)

>  <Synonyms> (230)
2-Propylvaleric Acid, Valproate

>  <Target> (230)
Autophagy,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (230)
free base

>  <CAS> (230)
99-66-1

>  <URL> (230)
http://selleckchem.com/products/valproic-acid.html

$$$$
S3973 L-SelenoMethionine.cdx
csChFnd80/09292414072D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (231)
2506

>  <Formula> (231)
C5H11NO2Se

>  <MolWeight> (231)
196.10634

>  <Cat> (231)
S3973

>  <Name> (231)
L-SelenoMethionine

>  <Synonyms> (231)
N/A

>  <Target> (231)
ROS

>  <Form> (231)
free base

>  <CAS> (231)
3211-76-5

>  <URL> (231)
http://selleckchem.com/products/l-selenomethionine.html

$$$$
WT161.cdx
csChFnd80/09292414072D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 19  8  1  0  0  0  0
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 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (232)
2525

>  <Formula> (232)
C27H30N4O3

>  <MolWeight> (232)
458.5521

>  <Cat> (232)
S8495

>  <Name> (232)
WT161

>  <Synonyms> (232)
N/A

>  <Target> (232)
Apoptosis related,HDAC

>  <Form> (232)
free base

>  <CAS> (232)
1206731-57-8

>  <URL> (232)
http://selleckchem.com/products/wt161.html

$$$$
AZD1080.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (233)
2535

>  <Formula> (233)
C19H18N4O2

>  <MolWeight> (233)
334.37182

>  <Cat> (233)
S7145

>  <Name> (233)
AZD1080

>  <Synonyms> (233)
N/A

>  <Target> (233)
GSK-3

>  <Form> (233)
free base

>  <CAS> (233)
612487-72-6

>  <URL> (233)
http://selleckchem.com/products/azd1080.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (234)
2545

>  <Formula> (234)
C17H15BrF2N4O3

>  <MolWeight> (234)
441.2268064

>  <Cat> (234)
S7007

>  <Name> (234)
Binimetinib (MEK162)

>  <Synonyms> (234)
ARRY-162,ARRY-438162

>  <Target> (234)
Apoptosis related,Autophagy,MEK

>  <Form> (234)
free base

>  <CAS> (234)
606143-89-9

>  <URL> (234)
http://selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (235)
2548

>  <Formula> (235)
C25H34N8O

>  <MolWeight> (235)
462.59046

>  <Cat> (235)
S7087

>  <Name> (235)
GSK2334470

>  <Synonyms> (235)
N/A

>  <Target> (235)
PDPK1

>  <Form> (235)
free base

>  <CAS> (235)
1227911-45-6

>  <URL> (235)
http://selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (236)
2550

>  <Formula> (236)
C24H26N4O

>  <MolWeight> (236)
386.48944

>  <Cat> (236)
S7127

>  <Name> (236)
TIC10 Analogue

>  <Target> (236)
Akt

>  <Form> (236)
free base

>  <CAS> (236)
41276-02-2

>  <URL> (236)
http://selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09292414072D

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>  <Formula> (237)
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>  <Name> (237)
BIO

>  <Synonyms> (237)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (237)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (237)
free base

>  <CAS> (237)
667463-62-9

>  <URL> (237)
http://selleckchem.com/products/bio.html

$$$$
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C21H19FN4O

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S7229

>  <Name> (238)
RGFP966

>  <Synonyms> (238)
N/A

>  <Target> (238)
HDAC

>  <Form> (238)
free base

>  <CAS> (238)
1396841-57-8

>  <URL> (238)
http://selleckchem.com/products/rgfp966.html

$$$$
AZD2858.cdx
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2559

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C21H23N7O3S

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>  <Name> (239)
AZD2858

>  <Synonyms> (239)
N/A

>  <Target> (239)
GSK-3

>  <Form> (239)
free base

>  <CAS> (239)
486424-20-8

>  <URL> (239)
http://selleckchem.com/products/azd2858.html

$$$$
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>  <Name> (240)
Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (240)
Bisindolylmaleimide IX Mesylate

>  <Target> (240)
PKC

>  <Form> (240)
Mesylate

>  <CAS> (240)
138489-18-6

>  <URL> (240)
http://selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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M  END
>  <Mol_ID> (241)
2569

>  <Formula> (241)
C15H17FN6O2S

>  <MolWeight> (241)
364.3978832

>  <Cat> (241)
S7018

>  <Name> (241)
CZC24832

>  <Synonyms> (241)
N/A

>  <Target> (241)
PI3K

>  <Form> (241)
free base

>  <CAS> (241)
1159824-67-5

>  <URL> (241)
http://selleckchem.com/products/czc24832.html

$$$$
ETP-46464.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (242)
2572

>  <Formula> (242)
C30H22N4O2

>  <MolWeight> (242)
470.52128

>  <Cat> (242)
S8050

>  <Name> (242)
ETP-46464

>  <Synonyms> (242)
N/A

>  <Target> (242)
ATM/ATR,mTOR

>  <Form> (242)
free base

>  <CAS> (242)
1345675-02-6

>  <URL> (242)
http://selleckchem.com/products/etp-46464.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/09292414072D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (243)
2576

>  <Formula> (243)
C24H27Cl2N5O

>  <MolWeight> (243)
472.41008

>  <Cat> (243)
S7306

>  <Name> (243)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (243)
BML-275 2HCl,Compound C 2HCl

>  <Target> (243)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (243)
Dihydrochloride

>  <CAS> (243)
1219168-18-9

>  <URL> (243)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Skepinone-L.cdx
csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (244)
2580

>  <Formula> (244)
C24H21F2NO4

>  <MolWeight> (244)
425.4246464

>  <Cat> (244)
S7214

>  <Name> (244)
Skepinone-L

>  <Synonyms> (244)
CBS3830

>  <Target> (244)
p38 MAPK

>  <Form> (244)
free base

>  <CAS> (244)
1221485-83-1

>  <URL> (244)
http://selleckchem.com/products/skepinone-l.html

$$$$
TAK-632.cdx
csChFnd80/09292414072D

 39 43  0  0  0  0  0  0  0  0999 V2000
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Raf

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free base

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1228591-30-7

>  <URL> (245)
http://selleckchem.com/products/tak-632.html

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N/A

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NF-¦ÊB

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free base

>  <CAS> (246)
749886-87-1

>  <URL> (246)
http://selleckchem.com/products/jsh-23.html

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Sorafenib.cdx
csChFnd80/09292414072D

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C21H16ClF3N4O3

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>  <Name> (247)
Sorafenib (BAY 43-9006)

>  <Synonyms> (247)
NSC-724772,BAY 43-9006

>  <Target> (247)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (247)
Free Base

>  <CAS> (247)
284461-73-0

>  <URL> (247)
http://selleckchem.com/products/sorafenib.html

$$$$
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csChFnd80/09292414072D

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RG2833 (RGFP109)

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>  <Target> (248)
HDAC

>  <Form> (248)
free base

>  <CAS> (248)
1215493-56-3

>  <URL> (248)
http://selleckchem.com/products/rg2833-rgfp109.html

$$$$
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M  END
>  <Mol_ID> (249)
2657

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C25H29ClN6O3

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S7317

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WZ4003

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N/A

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AMPK

>  <Form> (249)
free base

>  <CAS> (249)
1214265-58-3

>  <URL> (249)
http://selleckchem.com/products/wz4003.html

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (250)
2661

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C17H16O4

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284.30654

>  <Cat> (250)
S7414

>  <Name> (250)
Caffeic Acid Phenethyl Ester

>  <Synonyms> (250)
CAPE, Phenylethyl Caffeate

>  <Target> (250)
NF-¦ÊB

>  <Form> (250)
free base

>  <CAS> (250)
104594-70-9

>  <URL> (250)
http://selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
AZ20.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (251)
2667

>  <Formula> (251)
C21H24N4O3S

>  <MolWeight> (251)
412.50526

>  <Cat> (251)
S7050

>  <Name> (251)
AZ20

>  <Synonyms> (251)
N/A

>  <Target> (251)
ATM/ATR

>  <Form> (251)
free base

>  <CAS> (251)
1233339-22-4

>  <URL> (251)
http://selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (252)
2672

>  <Formula> (252)
C24H25N5O3S

>  <MolWeight> (252)
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S7102

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Berzosertib (VE-822)

>  <Synonyms> (252)
VX970, M6620

>  <Target> (252)
ATM/ATR

>  <Form> (252)
free base

>  <CAS> (252)
1232416-25-9

>  <URL> (252)
http://selleckchem.com/products/ve-822.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (253)
2673

>  <Formula> (253)
C12H12N4O4S

>  <MolWeight> (253)
308.31308

>  <Cat> (253)
S7435

>  <Name> (253)
AR-A014418

>  <Synonyms> (253)
GSK-3¦Â Inhibitor VIII

>  <Target> (253)
GSK-3

>  <Form> (253)
free base

>  <CAS> (253)
487021-52-3

>  <URL> (253)
http://selleckchem.com/products/A014418.html

$$$$
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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (254)
2684

>  <Formula> (254)
C19H19N3O2

>  <MolWeight> (254)
321.37306

>  <Cat> (254)
S7438

>  <Name> (254)
ME0328

>  <Synonyms> (254)
N/A

>  <Target> (254)
PARP

>  <Form> (254)
free base

>  <CAS> (254)
1445251-22-8

>  <URL> (254)
http://selleckchem.com/products/me0328.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (255)
2698

>  <Formula> (255)
C15H10BrN3O

>  <MolWeight> (255)
328.1634

>  <Cat> (255)
S7193

>  <Name> (255)
1-Azakenpaullone

>  <Synonyms> (255)
1-Akp

>  <Target> (255)
GSK-3

>  <Form> (255)
free base

>  <CAS> (255)
676596-65-9

>  <URL> (255)
http://selleckchem.com/products/1-azakenpaullone.html

$$$$
LM-3267.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (256)
2705

>  <Formula> (256)
C19H23N3O3

>  <MolWeight> (256)
341.40422

>  <Cat> (256)
S7473

>  <Name> (256)
Nexturastat A

>  <Synonyms> (256)
N/A

>  <Target> (256)
HDAC

>  <Form> (256)
free base

>  <CAS> (256)
1403783-31-2

>  <URL> (256)
http://selleckchem.com/products/nexturastat-a.html

$$$$
CGP 57380.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (257)
2716

>  <Formula> (257)
C11H9FN6

>  <MolWeight> (257)
244.2277632

>  <Cat> (257)
S7421

>  <Name> (257)
CGP 57380

>  <Synonyms> (257)
N/A

>  <Target> (257)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (257)
free base

>  <CAS> (257)
522629-08-9

>  <URL> (257)
http://selleckchem.com/products/cgp57380.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (258)
2718

>  <Formula> (258)
C6H9NO5

>  <MolWeight> (258)
175.13936

>  <Cat> (258)
S7483

>  <Name> (258)
DMOG

>  <Synonyms> (258)
Dimethyloxalylglycine

>  <Target> (258)
Autophagy,HIF,Hydroxylase

>  <Form> (258)
free base

>  <CAS> (258)
89464-63-1

>  <URL> (258)
http://selleckchem.com/products/dmog.html

$$$$
HS-173.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (259)
2732

>  <Formula> (259)
C21H18N4O4S

>  <MolWeight> (259)
422.45702

>  <Cat> (259)
S7356

>  <Name> (259)
HS-173

>  <Synonyms> (259)
N/A

>  <Target> (259)
PI3K

>  <Form> (259)
free base

>  <CAS> (259)
1276110-06-5

>  <URL> (259)
http://selleckchem.com/products/hs-173.html

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/09292414072D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   12.3077    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7326    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9450    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1575    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9450    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1575    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (260)
2738

>  <Formula> (260)
C22H26FN3O2

>  <MolWeight> (260)
383.4591432

>  <Cat> (260)
S7215

>  <Name> (260)
Losmapimod (GW856553X)

>  <Synonyms> (260)
GW856553, GSK-AHAB

>  <Target> (260)
Apoptosis related,Autophagy,p38 MAPK

>  <Form> (260)
free base

>  <CAS> (260)
585543-15-3

>  <URL> (260)
http://selleckchem.com/products/losmapimod-gw856553x.html

$$$$
SC75741.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (261)
2743

>  <Formula> (261)
C29H23N7O2S2

>  <MolWeight> (261)
565.66862

>  <Cat> (261)
S7273

>  <Name> (261)
SC75741

>  <Synonyms> (261)
N/A

>  <Target> (261)
Influenza Virus,NF-¦ÊB

>  <Form> (261)
free base

>  <CAS> (261)
913822-46-5

>  <URL> (261)
http://selleckchem.com/products/sc75741.html

$$$$
XMD8-92.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (262)
2757

>  <Formula> (262)
C26H30N6O3

>  <MolWeight> (262)
474.5548

>  <Cat> (262)
S7525

>  <Name> (262)
XMD8-92

>  <Synonyms> (262)
N/A

>  <Target> (262)
Epigenetic Reader Domain,ERK

>  <Form> (262)
free base

>  <CAS> (262)
1234480-50-2

>  <URL> (262)
http://selleckchem.com/products/xmd8-92.html

$$$$
TMP269.cdx
csChFnd80/09292414072D

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1314890-29-3

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ERK

>  <Form> (264)
free base

>  <CAS> (264)
865362-74-9

>  <URL> (264)
http://selleckchem.com/products/fr180204.html

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HO-3867

>  <Synonyms> (265)
N/A

>  <Target> (265)
Apoptosis related,STAT

>  <Form> (265)
free base

>  <CAS> (265)
1172133-28-6

>  <URL> (265)
http://selleckchem.com/products/ho-3867.html

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Ferroptosis,HIF,Mitochondrial Metabolism,ROS

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>  <CAS> (266)
1227158-85-1

>  <URL> (266)
http://selleckchem.com/products/bay-87-2243.html

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http://selleckchem.com/products/sh-4-54.html

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free base

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221877-54-9

>  <URL> (268)
http://selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Go6976.cdx
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136194-77-9

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http://selleckchem.com/products/go6976.html

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>  <Mol_ID> (270)
2795

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C22H20FN3O2

>  <MolWeight> (270)
377.4115032

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IM-12

>  <Synonyms> (270)
N/A

>  <Target> (270)
GSK-3

>  <Form> (270)
free base

>  <CAS> (270)
1129669-05-1

>  <URL> (270)
http://selleckchem.com/products/im-12.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/09292414072D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
2804

>  <Formula> (271)
C15H22N2O3

>  <MolWeight> (271)
278.34678

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S7595

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Santacruzamate A (CAY10683)

>  <Synonyms> (271)
N/A

>  <Target> (271)
HDAC

>  <Form> (271)
free base

>  <CAS> (271)
1477949-42-0

>  <URL> (271)
http://selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
Tasquinimod .cdx
csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
2820

>  <Formula> (272)
C20H17F3N2O4

>  <MolWeight> (272)
406.3551896

>  <Cat> (272)
S7617

>  <Name> (272)
Tasquinimod

>  <Synonyms> (272)
ABR-215050

>  <Target> (272)
HDAC

>  <Form> (272)
free base

>  <CAS> (272)
254964-60-8

>  <URL> (272)
http://selleckchem.com/products/tasquinimod.html

$$$$
Splitomicin.cdx
csChFnd80/09292414072D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (273)
2827

>  <Formula> (273)
C13H10O2

>  <MolWeight> (273)
198.2173

>  <Cat> (273)
S7593

>  <Name> (273)
Splitomicin

>  <Synonyms> (273)
N/A

>  <Target> (273)
HDAC

>  <Form> (273)
free base

>  <CAS> (273)
5690-03-9

>  <URL> (273)
http://selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/09292414072D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (274)
2829

>  <Formula> (274)
C27H27N5

>  <MolWeight> (274)
421.53678

>  <Cat> (274)
S7343

>  <Name> (274)
URMC-099

>  <Synonyms> (274)
N/A

>  <Target> (274)
Autophagy,Bcr-Abl,LRRK2,Mixed Lineage Kinase

>  <Form> (274)
free base

>  <CAS> (274)
1229582-33-5

>  <URL> (274)
http://selleckchem.com/products/urmc-099.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/09292414072D

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C17H22N8O

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PI3K

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free base

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1246560-33-7

>  <URL> (275)
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GO 6850

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PKC

>  <Form> (276)
free base

>  <CAS> (276)
133052-90-1

>  <URL> (276)
http://selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
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2844

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C17H18ClN3O2

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>  <Cat> (277)
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>  <Name> (277)
PJ34 HCl

>  <Synonyms> (277)
N/A

>  <Target> (277)
PARP

>  <Form> (277)
Hydrochloride

>  <CAS> (277)
344458-15-7

>  <URL> (277)
http://selleckchem.com/products/pj34-hcl.html

$$$$
JNK Inhibitor IX.cdx
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>  <Name> (278)
JNK Inhibitor IX

>  <Synonyms> (278)
TCS JNK 5a

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JNK

>  <Form> (278)
free base

>  <CAS> (278)
312917-14-9

>  <URL> (278)
http://selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
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M  END
>  <Mol_ID> (279)
2859

>  <Formula> (279)
C26H35N7O5

>  <MolWeight> (279)
525.6

>  <Cat> (279)
S7637

>  <Name> (279)
DTP3

>  <Synonyms> (279)
N/A

>  <Target> (279)
DNA/RNA Synthesis,JNK,NF-¦ÊB

>  <Form> (279)
free base

>  <CAS> (279)
1809784-29-9

>  <URL> (279)
http://selleckchem.com/products/dtp3.html

$$$$
PX-478 2HCl.cdx
csChFnd80/09292414072D

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  7 20  1  0  0  0  0
M  END
>  <Mol_ID> (280)
2870

>  <Formula> (280)
C13H20Cl4N2O3

>  <MolWeight> (280)
394.1215

>  <Cat> (280)
S7612

>  <Name> (280)
PX-478 2HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
Apoptosis related,HIF

>  <Form> (280)
dihydrochloride

>  <CAS> (280)
685898-44-6

>  <URL> (280)
http://selleckchem.com/products/px-478-2hcl.html

$$$$
CAY10603.cdx
csChFnd80/09292414072D

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  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (281)
2874

>  <Formula> (281)
C22H30N4O6

>  <MolWeight> (281)
446.4968

>  <Cat> (281)
S7596

>  <Name> (281)
CAY10603

>  <Synonyms> (281)
BML-281

>  <Target> (281)
HDAC

>  <Form> (281)
free base

>  <CAS> (281)
1045792-66-2

>  <URL> (281)
http://selleckchem.com/products/cay10603.html

$$$$
Piperlongumine.cdx
csChFnd80/09292414072D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (282)
2876

>  <Formula> (282)
C17H19NO5

>  <MolWeight> (282)
317.33646

>  <Cat> (282)
S7551

>  <Name> (282)
Piperlongumine

>  <Synonyms> (282)
PPLGM, Piplartine

>  <Target> (282)
CRM1,ROS

>  <Form> (282)
free base

>  <CAS> (282)
20069-09-4

>  <URL> (282)
http://selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (283)
2877

>  <Formula> (283)
C17H16ClN3O

>  <MolWeight> (283)
313.78144

>  <Cat> (283)
S7563

>  <Name> (283)
AT13148

>  <Synonyms> (283)
N/A

>  <Target> (283)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (283)
free base

>  <CAS> (283)
1056901-62-2

>  <URL> (283)
http://selleckchem.com/products/at13148.html

$$$$
LMK-235.cdx
csChFnd80/09292414072D

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PI3K

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free base

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955977-50-1

>  <URL> (288)
http://selleckchem.com/products/pi-3065.html

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Ferroptosis,NADPH-oxidase,ROS

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free base

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1218942-37-0

>  <URL> (289)
http://selleckchem.com/products/gkt137831.html

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Bikinin

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free base

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188011-69-0

>  <URL> (290)
http://selleckchem.com/products/bikinin.html

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>  <Name> (291)
LY2584702 Tosylate

>  <Synonyms> (291)
N/A

>  <Target> (291)
S6 Kinase

>  <Form> (291)
free base

>  <CAS> (291)
1082949-68-5

>  <URL> (291)
http://selleckchem.com/products/ly2584702-tosylate.html

$$$$
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>  <CAS> (292)
603288-22-8

>  <URL> (292)
http://selleckchem.com/products/ly2090314.html

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BRD73954.cdx
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Akt

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free base

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1047644-62-1

>  <URL> (294)
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NU1025

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PARP

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free base

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90417-38-2

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Anisomycin.cdx
csChFnd80/09292414072D

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Apoptosis related,Autophagy,JNK

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free base

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22862-76-6

>  <URL> (297)
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Autophagy,mTOR

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free base

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326914-06-1

>  <URL> (298)
http://selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
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>  <Mol_ID> (299)
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>  <Formula> (299)
C36H46N8O3

>  <MolWeight> (299)
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>  <Cat> (299)
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ERK5-IN-1

>  <Synonyms> (299)
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>  <Target> (299)
ERK

>  <Form> (299)
free base

>  <CAS> (299)
1435488-37-1

>  <URL> (299)
http://selleckchem.com/products/erk5-in-1.html

$$$$
XL147.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (300)
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>  <Synonyms> (300)
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>  <Target> (300)
PI3K

>  <Form> (300)
free base

>  <CAS> (300)
934526-89-3

>  <URL> (300)
http://selleckchem.com/products/pilaralisib-xl147.html

$$$$
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M  END
>  <Mol_ID> (301)
2968

>  <Formula> (301)
C31H33FN6O3

>  <MolWeight> (301)
556.6305232

>  <Cat> (301)
S7799

>  <Name> (301)
Pexmetinib (ARRY-614)

>  <Synonyms> (301)
N/A

>  <Target> (301)
p38 MAPK,Tie-2

>  <Form> (301)
free base

>  <CAS> (301)
945614-12-0

>  <URL> (301)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (302)
2970

>  <Formula> (302)
C23H29FN6O

>  <MolWeight> (302)
424.5143632

>  <Cat> (302)
S7842

>  <Name> (302)
LY3009120

>  <Synonyms> (302)
DP-4978

>  <Target> (302)
Autophagy,Raf

>  <Form> (302)
Free Base

>  <CAS> (302)
1454682-72-4

>  <URL> (302)
http://selleckchem.com/products/ly3009120.html

$$$$
BG45.cdx
csChFnd80/09292414072D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (303)
2972

>  <Formula> (303)
C11H10N4O

>  <MolWeight> (303)
214.2233

>  <Cat> (303)
S7689

>  <Name> (303)
BG45

>  <Synonyms> (303)
N/A

>  <Target> (303)
HDAC

>  <Form> (303)
free base

>  <CAS> (303)
926259-99-6

>  <URL> (303)
http://selleckchem.com/products/bg45.html

$$$$
HTH-01-015.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (304)
2973

>  <Formula> (304)
C26H28N8O

>  <MolWeight> (304)
468.55352

>  <Cat> (304)
S7318

>  <Name> (304)
HTH-01-015

>  <Synonyms> (304)
N/A

>  <Target> (304)
AMPK

>  <Form> (304)
free base

>  <CAS> (304)
1613724-42-7

>  <URL> (304)
http://selleckchem.com/products/hth-01-015.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (305)
2975

>  <Formula> (305)
C21H21F3IN3O2

>  <MolWeight> (305)
531.3100196

>  <Cat> (305)
S8041

>  <Name> (305)
Cobimetinib (GDC-0973)

>  <Synonyms> (305)
RG7420,XL518

>  <Target> (305)
Apoptosis related,MEK

>  <Form> (305)
free base

>  <CAS> (305)
934660-93-2

>  <URL> (305)
http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
2976

>  <Formula> (306)
C21H22Cl2N4O2

>  <MolWeight> (306)
433.33098

>  <Cat> (306)
S7854

>  <Name> (306)
Ulixertinib (BVD-523)

>  <Synonyms> (306)
VRT752271

>  <Target> (306)
ERK

>  <Form> (306)
free base

>  <CAS> (306)
869886-67-9

>  <URL> (306)
http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/09292414072D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
2979

>  <Formula> (307)
C24H25N5O

>  <MolWeight> (307)
399.4882

>  <Cat> (307)
S7840

>  <Name> (307)
Dorsomorphin (Compound C)

>  <Synonyms> (307)
BML-275,Compound C

>  <Target> (307)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (307)
Free Base

>  <CAS> (307)
866405-64-3

>  <URL> (307)
http://selleckchem.com/products/dorsomorphin.html

$$$$
KC7F2.cdx
csChFnd80/09292414072D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (308)
2984

>  <Formula> (308)
C16H16Cl4N2O4S4

>  <MolWeight> (308)
570.38124

>  <Cat> (308)
S7946

>  <Name> (308)
KC7F2

>  <Synonyms> (308)
N/A

>  <Target> (308)
HIF

>  <Form> (308)
free base

>  <CAS> (308)
927822-86-4

>  <URL> (308)
http://selleckchem.com/products/kc7f2.html

$$$$

csChFnd80/09292414072D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
2986

>  <Formula> (309)
C26H28N4O3

>  <MolWeight> (309)
444.52552

>  <Cat> (309)
S7921

>  <Name> (309)
DEL-22379

>  <Synonyms> (309)
N/A

>  <Target> (309)
ERK

>  <Form> (309)
free base

>  <CAS> (309)
181223-80-3

>  <URL> (309)
http://selleckchem.com/products/del-22379.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/09292414072D

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>  <Formula> (310)
C14H8O4

>  <MolWeight> (310)
240.21092

>  <Cat> (310)
S7977

>  <Name> (310)
Napabucasin (BBI608)

>  <Synonyms> (310)
BBI608

>  <Target> (310)
STAT

>  <Form> (310)
free base

>  <CAS> (310)
83280-65-3

>  <URL> (310)
http://selleckchem.com/products/napabucasin.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (311)
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>  <Formula> (311)
C21H18FN5O5S

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>  <Name> (311)
Avutometinib

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RO5126766,CH5126766,VS 6766, CKI-27, R-7304, RG-7304

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MEK,Raf

>  <Form> (311)
free base

>  <CAS> (311)
946128-88-7

>  <URL> (311)
http://selleckchem.com/products/ro5126766-ch5126766.html

$$$$
GSK621.cdx
csChFnd80/09292414072D

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C26H20ClN3O5

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GSK621

>  <Synonyms> (312)
N/A

>  <Target> (312)
AMPK

>  <Form> (312)
free base

>  <CAS> (312)
1346607-05-3

>  <URL> (312)
http://selleckchem.com/products/gsk621.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
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ERK

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free base

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896720-20-0

>  <URL> (313)
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$$$$
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free base

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934493-76-2

>  <URL> (314)
http://selleckchem.com/products/voxtalisib-xl765-sar245409.html

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PARP

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free base

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1419949-20-4

>  <URL> (315)
http://selleckchem.com/products/nvp-tnks656.html

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LJI308.cdx
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LJI308

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N/A

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S6 Kinase

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free base

>  <CAS> (316)
1627709-94-7

>  <URL> (316)
http://selleckchem.com/products/lji308.html

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HIF

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223387-75-5

>  <URL> (317)
http://selleckchem.com/products/fg-2216.html

$$$$
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free base

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1154028-82-6

>  <URL> (318)
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>  <Mol_ID> (319)
3042

>  <Formula> (319)
C10H8N2O2S

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Mirin

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N/A

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ATM/ATR

>  <Form> (319)
free base

>  <CAS> (319)
1198097-97-0

>  <URL> (319)
http://selleckchem.com/products/mirin.html

$$$$
STA-21.cdx
csChFnd80/09292414072D

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C19H14O4

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>  <Name> (320)
Ochromycinone (STA-21)

>  <Synonyms> (320)
N/A

>  <Target> (320)
STAT

>  <Form> (320)
free base

>  <CAS> (320)
111540-00-2

>  <URL> (320)
http://selleckchem.com/products/sta-21.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/09292414072D

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3048

>  <Formula> (321)
C19H27N3O6

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>  <Cat> (321)
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>  <Name> (321)
Daprodustat (GSK1278863)

>  <Synonyms> (321)
N/A

>  <Target> (321)
HIF

>  <Form> (321)
free base

>  <CAS> (321)
960539-70-2

>  <URL> (321)
http://selleckchem.com/products/daprodustat.html

$$$$
CC-223.cdx
csChFnd80/09292414072D

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C21H27N5O3

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Onatasertib (CC 223)

>  <Synonyms> (322)
ATG-008

>  <Target> (322)
mTOR

>  <Form> (322)
free base

>  <CAS> (322)
1228013-30-6

>  <URL> (322)
http://selleckchem.com/products/cc-223.html

$$$$
LJH685.cdx
csChFnd80/09292414072D

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3056

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C22H21F2N3O

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S6 Kinase

>  <Form> (323)
free base

>  <CAS> (323)
1627710-50-2

>  <URL> (323)
http://selleckchem.com/products/ljh685.html

$$$$
GSK2141795.cdx
csChFnd80/09292414072D

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3057

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C18H16Cl2F2N4O2

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429.2480464

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Uprosertib (GSK2141795)

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GSK795

>  <Target> (324)
Akt

>  <Form> (324)
free base

>  <CAS> (324)
1047634-65-0

>  <URL> (324)
http://selleckchem.com/products/gsk2141795.html

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VPS34-IN1.cdx
csChFnd80/09292414072D

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3063

>  <Formula> (325)
C21H24ClN7O

>  <MolWeight> (325)
425.91456

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S7980

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VPS34-IN1

>  <Synonyms> (325)
Vps34-IN-1

>  <Target> (325)
Autophagy,PI3K

>  <Form> (325)
free base

>  <CAS> (325)
1383716-33-3

>  <URL> (325)
http://selleckchem.com/products/vps34-in1.html

$$$$
MLN2480.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (326)
3070

>  <Formula> (326)
C17H12Cl2F3N7O2S

>  <MolWeight> (326)
506.2890896

>  <Cat> (326)
S7121

>  <Name> (326)
Tovorafenib (MLN2480)

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BIIB-024, TAK580, AMG-2112819, BSK1369, DAY-101

>  <Target> (326)
Raf

>  <Form> (326)
free base

>  <CAS> (326)
1096708-71-2

>  <URL> (326)
http://selleckchem.com/products/mln2480.html

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csChFnd80/09292414072D

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>  <Mol_ID> (327)
3081

>  <Formula> (327)
C17H17N7

>  <MolWeight> (327)
319.36378

>  <Cat> (327)
S7683

>  <Name> (327)
PIK-III

>  <Synonyms> (327)
VPS34-IN2

>  <Target> (327)
Autophagy,LC3,PI3K

>  <Form> (327)
free base

>  <CAS> (327)
1383716-40-2

>  <URL> (327)
http://selleckchem.com/products/pik-iii.html

$$$$
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>  <Mol_ID> (328)
3088

>  <Formula> (328)
C22H26N6O2

>  <MolWeight> (328)
406.48084

>  <Cat> (328)
S8124

>  <Name> (328)
BMS-582949

>  <Synonyms> (328)
PS540446

>  <Target> (328)
p38 MAPK

>  <Form> (328)
free base

>  <CAS> (328)
623152-17-0

>  <URL> (328)
http://selleckchem.com/products/bms-582949.html

$$$$
ETC-1002.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (329)
3091

>  <Formula> (329)
C19H36O5

>  <MolWeight> (329)
344.48614

>  <Cat> (329)
S7953

>  <Name> (329)
ETC-1002

>  <Synonyms> (329)
Bempedoic acid, ESP-55016

>  <Target> (329)
AMPK,ATP-citrate lyase,LDL

>  <Form> (329)
free base

>  <CAS> (329)
738606-46-7

>  <URL> (329)
http://selleckchem.com/products/etc-1002.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (330)
3092

>  <Formula> (330)
C27H25F3N8O2

>  <MolWeight> (330)
550.5350096

>  <Cat> (330)
S7752

>  <Name> (330)
Pluripotin (SC1)

>  <Synonyms> (330)
N/A

>  <Target> (330)
ERK,S6 Kinase

>  <Form> (330)
free base

>  <CAS> (330)
839707-37-8

>  <URL> (330)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
PLX7904.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (331)
3098

>  <Formula> (331)
C24H22F2N6O3S

>  <MolWeight> (331)
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>  <Cat> (331)
S7964

>  <Name> (331)
PLX7904

>  <Synonyms> (331)
PB04

>  <Target> (331)
Raf

>  <Form> (331)
free base

>  <CAS> (331)
1393465-84-3

>  <URL> (331)
http://selleckchem.com/products/plx7904.html

$$$$
BI-78D3.cdx
csChFnd80/09292414072D

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free base

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PI3K

>  <Form> (333)
free base

>  <CAS> (333)
1254036-66-2

>  <URL> (333)
http://selleckchem.com/products/gsk2292767.html

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>  <Name> (334)
Niraparib (MK-4827) tosylate

>  <Synonyms> (334)
Niraparib tosylate, MK 4827 tosylate, ZEJULA

>  <Target> (334)
Apoptosis related,PARP

>  <Form> (334)
4-?methylbenzen

>  <CAS> (334)
1038915-73-9

>  <URL> (334)
http://selleckchem.com/products/mk-4827-niraparib-tosylate.html

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HDAC

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free base

>  <CAS> (335)
200626-61-5

>  <URL> (335)
http://selleckchem.com/products/itsa-1-itsa1.html

$$$$
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (336)
3159

>  <Formula> (336)
C23H26N4O3

>  <MolWeight> (336)
406.47754

>  <Cat> (336)
S8322

>  <Name> (336)
Samotolisib (LY3023414)

>  <Synonyms> (336)
GTPL8918

>  <Target> (336)
DNA-PK,mTOR,PI3K

>  <Form> (336)
free base

>  <CAS> (336)
1386874-06-1

>  <URL> (336)
http://selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/09292414072D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.1134    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5892    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057    9.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8628   10.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155    9.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    9.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3332    9.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6161    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424    5.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925    4.7206    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.4330    5.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    5.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    4.7709    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.4353    5.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9795    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    5.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    5.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7112    6.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2747    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    8.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114    3.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9444    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    1.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    1.7545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5841    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7152    0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852    2.5053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 17  1  0  0  0  0
 12 26  1  0  0  0  0
 15 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 30  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (337)
3171

>  <Formula> (337)
C28H29ClN4O3

>  <MolWeight> (337)
505.00786

>  <Cat> (337)
S7663

>  <Name> (337)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (337)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (337)
PKC

>  <Form> (337)
hydrochloride

>  <CAS> (337)
169939-93-9

>  <URL> (337)
http://selleckchem.com/products/ly333531.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/09292414072D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (338)
3179

>  <Formula> (338)
C8H12O4

>  <MolWeight> (338)
172.17848

>  <Cat> (338)
S4712

>  <Name> (338)
Diethylmaleate

>  <Synonyms> (338)
Diethyl ester, Maleic acid diethyl ester

>  <Target> (338)
NF-¦ÊB,Nrf2

>  <Form> (338)
Free Base

>  <CAS> (338)
141-05-9

>  <URL> (338)
http://selleckchem.com/products/diethylmaleate.html

$$$$
AZD8835.cdx
csChFnd80/09292414072D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.5287    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1699    4.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8005    4.5021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0373    2.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2103    5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9192    6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1660    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1660    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4450    2.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3818    3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6818    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3123    4.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2512    5.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6435    5.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4283    6.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6135    7.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (339)
3186

>  <Formula> (339)
C22H31N9O3

>  <MolWeight> (339)
469.54004

>  <Cat> (339)
S7966

>  <Name> (339)
AZD8835

>  <Synonyms> (339)
N/A

>  <Target> (339)
PI3K

>  <Form> (339)
free base

>  <CAS> (339)
1620576-64-8

>  <URL> (339)
http://selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/09292414072D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.0903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2132    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5447    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5447    1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2132    2.3409    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    5.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6734    2.7283    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   18.5270    4.1206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9523    2.1588    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 27  2  0  0  0  0
 17 28  2  0  0  0  0
 15 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (340)
3187

>  <Formula> (340)
C18H15N5O6S2

>  <MolWeight> (340)
461.4716

>  <Cat> (340)
S8251

>  <Name> (340)
Necrosulfonamide

>  <Synonyms> (340)
N/A

>  <Target> (340)
Mixed Lineage Kinase

>  <Form> (340)
free base

>  <CAS> (340)
1360614-48-7

>  <URL> (340)
http://selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/09292414072D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (341)
3194

>  <Formula> (341)
C23H22ClN3O3

>  <MolWeight> (341)
423.89208

>  <Cat> (341)
S8355

>  <Name> (341)
APS-2-79 HCl

>  <Synonyms> (341)
N/A

>  <Target> (341)
MEK

>  <Form> (341)
hydrochloride

>  <CAS> (341)
2002381-31-7

>  <URL> (341)
http://selleckchem.com/products/aps-2-79.html

$$$$
Deguelin.cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (342)
3200

>  <Formula> (342)
C23H22O6

>  <MolWeight> (342)
394.41718

>  <Cat> (342)
S8132

>  <Name> (342)
Deguelin

>  <Synonyms> (342)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (342)
Akt,PI3K

>  <Form> (342)
free base

>  <CAS> (342)
522-17-8

>  <URL> (342)
http://selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (343)
3208

>  <Formula> (343)
C22H15F3N4O2

>  <MolWeight> (343)
424.3753096

>  <Cat> (343)
S8189

>  <Name> (343)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (343)
N/A

>  <Target> (343)
c-RET,Raf,VEGFR

>  <Form> (343)
free base

>  <CAS> (343)
861875-60-7

>  <URL> (343)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (344)
3212

>  <Formula> (344)
C19H20F2N4O4

>  <MolWeight> (344)
406.3833064

>  <Cat> (344)
S8125

>  <Name> (344)
Pamapimod

>  <Synonyms> (344)
R-1503,Ro4402257

>  <Target> (344)
p38 MAPK

>  <Form> (344)
free base

>  <CAS> (344)
449811-01-2

>  <URL> (344)
http://selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
BGP-15.cdx
csChFnd80/09292414072D

 22 21  0  0  0  0  0  0  0  0999 V2000
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C14H24Cl2N4O2

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BGP-15 2HCl

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N/A

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PARP

>  <Form> (345)
dihydrochloride

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66611-37-8

>  <URL> (345)
http://selleckchem.com/products/bgp-15.html

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>  <Target> (346)
mTOR,PI3K

>  <Form> (346)
free base

>  <CAS> (346)
1382979-44-3

>  <URL> (346)
http://selleckchem.com/products/gdc-0084.html

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N/A

>  <Target> (347)
DNA-PK,mTOR

>  <Form> (347)
free base

>  <CAS> (347)
1228013-15-7

>  <URL> (347)
http://selleckchem.com/products/cc-115.html

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mTOR

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free base

>  <CAS> (348)
1429639-50-8

>  <URL> (348)
http://selleckchem.com/products/cz415.html

$$$$
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (349)
3263

>  <Formula> (349)
C26H28N6O

>  <MolWeight> (349)
440.54012

>  <Cat> (349)
S7937

>  <Name> (349)
Nemiralisib

>  <Synonyms> (349)
GSK2269557

>  <Target> (349)
PI3K

>  <Form> (349)
free base

>  <CAS> (349)
1254036-71-9

>  <URL> (349)
http://selleckchem.com/products/gsk2269557.html

$$$$
GSK583.cdx
csChFnd80/09292414072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1986    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    3.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0007    1.3765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
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 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (350)
3272

>  <Formula> (350)
C20H19FN4O2S

>  <MolWeight> (350)
398.4538632

>  <Cat> (350)
S8261

>  <Name> (350)
GSK583

>  <Synonyms> (350)
N/A

>  <Target> (350)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (350)
free base

>  <CAS> (350)
1346547-00-9

>  <URL> (350)
http://selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/09292414072D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6331    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.8134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    7.0808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    9.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7075    9.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8838    4.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164    3.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6858    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6226    4.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1900    5.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6099   10.6341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (351)
3275

>  <Formula> (351)
C27H25ClN6

>  <MolWeight> (351)
468.9806

>  <Cat> (351)
S8339

>  <Name> (351)
Miransertib (ARQ 092) HCl

>  <Synonyms> (351)
Miransertib

>  <Target> (351)
Akt

>  <Form> (351)
hydrochloride

>  <CAS> (351)
1313883-00-9

>  <URL> (351)
http://selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09292414072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  5  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (352)
3277

>  <Formula> (352)
C21H25N7O

>  <MolWeight> (352)
391.4695

>  <Cat> (352)
S8456

>  <Name> (352)
VPS34 inhibitor 1 (Compound 19)

>  <Synonyms> (352)
PIK-III analogue

>  <Target> (352)
PI3K

>  <Form> (352)
free base

>  <CAS> (352)
1383716-46-8

>  <URL> (352)
http://selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/09292414072D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
3279

>  <Formula> (353)
C29H27F5N2O6S

>  <MolWeight> (353)
626.591496

>  <Cat> (353)
S7769

>  <Name> (353)
BP-1-102

>  <Synonyms> (353)
N/A

>  <Target> (353)
STAT

>  <Form> (353)
free base

>  <CAS> (353)
1334493-07-0

>  <URL> (353)
http://selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (354)
3280

>  <Formula> (354)
C21H21ClN2O2S

>  <MolWeight> (354)
400.92164

>  <Cat> (354)
S7652

>  <Name> (354)
OTS514 hydrochloride

>  <Synonyms> (354)
N/A

>  <Target> (354)
Apoptosis related,TOPK

>  <Form> (354)
hydrochloride

>  <CAS> (354)
2319647-76-0

>  <URL> (354)
http://selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (355)
3286

>  <Formula> (355)
C17H20N6O2

>  <MolWeight> (355)
340.3797

>  <Cat> (355)
S8275

>  <Name> (355)
Tomivosertib (eFT-508)

>  <Synonyms> (355)
N/A

>  <Target> (355)
eIF,MNK,PD-1/PD-L1

>  <Form> (355)
free base

>  <CAS> (355)
1849590-01-7

>  <URL> (355)
http://selleckchem.com/products/eft-508.html

$$$$
SH5-07 (SH-5-07).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (356)
3288

>  <Formula> (356)
C29H28F5N3O5S

>  <MolWeight> (356)
625.606736

>  <Cat> (356)
S7923

>  <Name> (356)
SH5-07 (SH-5-07)

>  <Synonyms> (356)
N/A

>  <Target> (356)
STAT

>  <Form> (356)
free base

>  <CAS> (356)
1456632-41-9

>  <URL> (356)
http://selleckchem.com/products/sh5-07.html

$$$$
S7743-CCT196969.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (357)
3289

>  <Formula> (357)
C27H24FN7O3

>  <MolWeight> (357)
513.5229632

>  <Cat> (357)
S7743

>  <Name> (357)
CCT196969

>  <Synonyms> (357)
N/A

>  <Target> (357)
Raf,Src

>  <Form> (357)
free base

>  <CAS> (357)
1163719-56-9

>  <URL> (357)
http://selleckchem.com/products/cct196969.html

$$$$
YC-1.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (358)
3304

>  <Formula> (358)
C19H16N2O2

>  <MolWeight> (358)
304.34254

>  <Cat> (358)
S7958

>  <Name> (358)
Lificiguat (YC-1)

>  <Synonyms> (358)
N/A

>  <Target> (358)
Guanylate Cyclase,HIF

>  <Form> (358)
free base

>  <CAS> (358)
170632-47-0

>  <URL> (358)
http://selleckchem.com/products/lificiguat-yc-1.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (359)
3307

>  <Formula> (359)
C24H26ClN5O3

>  <MolWeight> (359)
467.94794

>  <Cat> (359)
S8464

>  <Name> (359)
Citarinostat (ACY-241)

>  <Synonyms> (359)
HDAC-IN-2

>  <Target> (359)
HDAC

>  <Form> (359)
free base

>  <CAS> (359)
1316215-12-9

>  <URL> (359)
http://selleckchem.com/products/citarinostat-acy-241.html

$$$$
E7449.cdx
csChFnd80/09292414072D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
3310

>  <Formula> (360)
C18H15N5O

>  <MolWeight> (360)
317.3446

>  <Cat> (360)
S8419

>  <Name> (360)
Stenoparib (E7449)

>  <Synonyms> (360)
2X-121, MGI25036

>  <Target> (360)
PARP

>  <Form> (360)
free base

>  <CAS> (360)
1140964-99-3

>  <URL> (360)
http://selleckchem.com/products/e7449.html

$$$$
TGR-1202.cdx
csChFnd80/09292414072D

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3313

>  <Formula> (361)
C31H24F3N5O3

>  <MolWeight> (361)
571.5491696

>  <Cat> (361)
S8194

>  <Name> (361)
umbralisib (TGR-1202)

>  <Synonyms> (361)
Rp-5264

>  <Target> (361)
PI3K

>  <Form> (361)
free base

>  <CAS> (361)
1532533-67-7

>  <URL> (361)
http://selleckchem.com/products/tgr-1202.html

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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (362)
3314

>  <Formula> (362)
C24H21N5O4

>  <MolWeight> (362)
443.45464

>  <Cat> (362)
S8443

>  <Name> (362)
MK-8617

>  <Synonyms> (362)
N/A

>  <Target> (362)
HIF

>  <Form> (362)
free base

>  <CAS> (362)
1187990-87-9

>  <URL> (362)
http://selleckchem.com/products/mk-8617.html

$$$$
OTS964.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (363)
3317

>  <Formula> (363)
C23H26Cl2N2O2S

>  <MolWeight> (363)
465.43574

>  <Cat> (363)
S7648

>  <Name> (363)
OTS964

>  <Synonyms> (363)
N/A

>  <Target> (363)
Apoptosis related,Autophagy,CDK,TOPK

>  <Form> (363)
dihydrochloride

>  <CAS> (363)
1338545-07-5

>  <URL> (363)
http://selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (364)
3318

>  <Formula> (364)
C21H24ClF3N6O2

>  <MolWeight> (364)
484.9024696

>  <Cat> (364)
S8490

>  <Name> (364)
Tanzisertib(CC-930)

>  <Synonyms> (364)
JNK-930, JNKI-1

>  <Target> (364)
JNK

>  <Form> (364)
hydrochloride

>  <CAS> (364)
899805-25-5(freebase)

>  <URL> (364)
http://selleckchem.com/products/cc-930.html

$$$$
NMS-P118.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (369)
3352

>  <Formula> (369)
C19H22N6O3

>  <MolWeight> (369)
382.41638

>  <Cat> (369)
S8157

>  <Name> (369)
GDC-0326

>  <Synonyms> (369)
N/A

>  <Target> (369)
PI3K

>  <Form> (369)
free base

>  <CAS> (369)
1282514-88-8

>  <URL> (369)
http://selleckchem.com/products/gdc-0326.html

$$$$
TMP195.cdx
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>  <Mol_ID> (370)
3356

>  <Formula> (370)
C23H19F3N4O3

>  <MolWeight> (370)
456.4171696

>  <Cat> (370)
S8502

>  <Name> (370)
TMP195

>  <Synonyms> (370)
TFMO 2

>  <Target> (370)
HDAC

>  <Form> (370)
free base

>  <CAS> (370)
1314891-22-9

>  <URL> (370)
http://selleckchem.com/products/tmp195.html

$$$$
3BDO.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (371)
3360

>  <Formula> (371)
C18H17NO5

>  <MolWeight> (371)
327.33128

>  <Cat> (371)
S8317

>  <Name> (371)
3BDO

>  <Synonyms> (371)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (371)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (371)
free base

>  <CAS> (371)
890405-51-3

>  <URL> (371)
http://selleckchem.com/products/3bdo.html

$$$$
GSK2982772.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (372)
3363

>  <Formula> (372)
C20H19N5O3

>  <MolWeight> (372)
377.39656

>  <Cat> (372)
S8484

>  <Name> (372)
GSK2982772

>  <Synonyms> (372)
N/A

>  <Target> (372)
RIP kinase,TNF-alpha

>  <Form> (372)
free base

>  <CAS> (372)
1622848-92-3

>  <URL> (372)
http://selleckchem.com/products/gsk2982772.html

$$$$
SF2523.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (373)
3365

>  <Formula> (373)
C19H17NO5S

>  <MolWeight> (373)
371.40698

>  <Cat> (373)
S8589

>  <Name> (373)
SF2523

>  <Synonyms> (373)
N/A

>  <Target> (373)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (373)
free base

>  <CAS> (373)
1174428-47-7

>  <URL> (373)
http://selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (374)
3366

>  <Formula> (374)
C30H24N8O2

>  <MolWeight> (374)
528.56396

>  <Cat> (374)
S8330

>  <Name> (374)
Eganelisib (IPI-549)

>  <Synonyms> (374)
N/A

>  <Target> (374)
PI3K

>  <Form> (374)
free base

>  <CAS> (374)
1693758-51-8

>  <URL> (374)
http://selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (375)
3378

>  <Formula> (375)
C19H17N5O3

>  <MolWeight> (375)
363.36998

>  <Cat> (375)
S8581

>  <Name> (375)
Serabelisib (TAK-117)

>  <Synonyms> (375)
INK-1117, MLN-1117

>  <Target> (375)
PI3K

>  <Form> (375)
free base

>  <CAS> (375)
1268454-23-4

>  <URL> (375)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
HJC0152.cdx
csChFnd80/09292414072D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
3382

>  <Formula> (376)
C15H14Cl3N3O4

>  <MolWeight> (376)
406.64836

>  <Cat> (376)
S8561

>  <Name> (376)
HJC0152

>  <Synonyms> (376)
N/A

>  <Target> (376)
STAT

>  <Form> (376)
hydrochloride

>  <CAS> (376)
1420290-99-8

>  <URL> (376)
http://selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (377)
3383

>  <Formula> (377)
C14H11ClN6O3

>  <MolWeight> (377)
346.72854

>  <Cat> (377)
S8596

>  <Name> (377)
Autophinib

>  <Synonyms> (377)
N/A

>  <Target> (377)
Autophagy,PI3K

>  <Form> (377)
free base

>  <CAS> (377)
1644443-47-9

>  <URL> (377)
http://selleckchem.com/products/autophinib.html

$$$$
LW 6.cdx
csChFnd80/09292414072D

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>  <Formula> (378)
C26H29NO5

>  <MolWeight> (378)
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>  <Name> (378)
LW 6

>  <Synonyms> (378)
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>  <Target> (378)
HIF

>  <Form> (378)
free base

>  <CAS> (378)
934593-90-5

>  <URL> (378)
http://selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/09292414072D

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3392

>  <Formula> (379)
C22H19FN4O2

>  <MolWeight> (379)
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>  <Cat> (379)
S8567

>  <Name> (379)
Tucidinostat (Chidamide)

>  <Synonyms> (379)
HBI-8000, CS-055

>  <Target> (379)
HDAC

>  <Form> (379)
free base

>  <CAS> (379)
1616493-44-7

>  <URL> (379)
http://selleckchem.com/products/tucidinostat-chidamide.html

$$$$
LY3214996.cdx
csChFnd80/09292414072D

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>  <Name> (380)
Temuterkib (LY3214996)

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N/A

>  <Target> (380)
ERK

>  <Form> (380)
free base

>  <CAS> (380)
1951483-29-6

>  <URL> (380)
http://selleckchem.com/products/ly3214996.html

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/09292414072D

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(S)-Methylisothiourea sulfate

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N/A

>  <Target> (381)
ROS

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sulfate

>  <CAS> (381)
867-44-7

>  <URL> (381)
http://selleckchem.com/products/s-methylisothiourea-sulfate.html

$$$$
PF-06409577.cdx
csChFnd80/09292414072D

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>  <Target> (382)
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>  <Form> (382)
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>  <CAS> (382)
1467057-23-3

>  <URL> (382)
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$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (383)
3419

>  <Formula> (383)
C12H8ClI

>  <MolWeight> (383)
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>  <Cat> (383)
S8639

>  <Name> (383)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (383)
N/A

>  <Target> (383)
NADPH-oxidase,NOS,ROS,TRP Channel

>  <Form> (383)
chloride

>  <CAS> (383)
4673-26-1

>  <URL> (383)
http://selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
ACY-738.cdx
csChFnd80/09292414072D

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>  <Formula> (384)
C14H14N4O2

>  <MolWeight> (384)
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>  <Cat> (384)
S8648

>  <Name> (384)
ACY-738

>  <Synonyms> (384)
N/A

>  <Target> (384)
HDAC

>  <Form> (384)
free base

>  <CAS> (384)
1375465-91-0

>  <URL> (384)
http://selleckchem.com/products/acy-738.html

$$$$
C188-9.cdx
csChFnd80/09292414072D

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3437

>  <Formula> (385)
C27H21NO5S

>  <MolWeight> (385)
471.52434

>  <Cat> (385)
S8605

>  <Name> (385)
C188-9

>  <Synonyms> (385)
TTI 101

>  <Target> (385)
STAT

>  <Form> (385)
free base

>  <CAS> (385)
432001-19-9

>  <URL> (385)
http://selleckchem.com/products/c188-9.html

$$$$
IPI-3063.cdx
csChFnd80/09292414072D

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C25H25N7O2

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IPI-3063

>  <Synonyms> (386)
N/A

>  <Target> (386)
PI3K

>  <Form> (386)
free base

>  <CAS> (386)
1425043-73-7

>  <URL> (386)
http://selleckchem.com/products/ipi-3063.html

$$$$
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2-D08

>  <Synonyms> (387)
2',3',4'-trihydroxy flavone

>  <Target> (387)
SUMO

>  <Form> (387)
free base

>  <CAS> (387)
144707-18-6

>  <URL> (387)
http://selleckchem.com/products/2-d08.html

$$$$
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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (388)
3557

>  <Formula> (388)
C21H17ClF4N4O4

>  <MolWeight> (388)
500.8306928

>  <Cat> (388)
S5077

>  <Name> (388)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (388)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (388)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (388)
monohydrate

>  <CAS> (388)
1019206-88-2

>  <URL> (388)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (389)
3567

>  <Formula> (389)
C14H11NOS

>  <MolWeight> (389)
241.30824

>  <Cat> (389)
S5304

>  <Name> (389)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (389)
2-APT

>  <Target> (389)
NADPH-oxidase

>  <Form> (389)
free base

>  <CAS> (389)
6631-94-3

>  <URL> (389)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (390)
3590

>  <Formula> (390)
C23H18FN5O2

>  <MolWeight> (390)
415.4197232

>  <Cat> (390)
S8672

>  <Name> (390)
Tenalisib (RP6530)

>  <Synonyms> (390)
N/A

>  <Target> (390)
PI3K

>  <Form> (390)
free base

>  <CAS> (390)
1639417-53-0

>  <URL> (390)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (391)
3604

>  <Formula> (391)
C28H29F3N4O4

>  <MolWeight> (391)
542.5494696

>  <Cat> (391)
S8690

>  <Name> (391)
RAF709

>  <Synonyms> (391)
N/A

>  <Target> (391)
Raf

>  <Form> (391)
free base

>  <CAS> (391)
1628838-42-5

>  <URL> (391)
http://selleckchem.com/products/raf709.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09292414072D

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C10H16N5O8P

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>  <Cat> (392)
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>  <Name> (392)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (392)
5'-Adenylic acid, 5'-AMP

>  <Target> (392)
AMPK

>  <Form> (392)
hydrate

>  <CAS> (392)
18422-05-4

>  <URL> (392)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
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3663

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C18H16N2O

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276.33244

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S5313

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SC66

>  <Synonyms> (393)
N/A

>  <Target> (393)
Akt

>  <Form> (393)
free base

>  <CAS> (393)
871361-88-5

>  <URL> (393)
http://selleckchem.com/products/sc66.html

$$$$
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>  <Mol_ID> (394)
3669

>  <Formula> (394)
C27H32FN5O2

>  <MolWeight> (394)
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AZD1390

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N/A

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ATM/ATR

>  <Form> (394)
free base

>  <CAS> (394)
2089288-03-7

>  <URL> (394)
http://selleckchem.com/products/azd1390.html

$$$$
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N/A

>  <Target> (395)
RIP kinase

>  <Form> (395)
free base

>  <CAS> (395)
2049868-46-2

>  <URL> (395)
http://selleckchem.com/products/gsk963.html

$$$$
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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (396)
3741

>  <Formula> (396)
C24H24F3N5O5S3

>  <MolWeight> (396)
615.6680696

>  <Cat> (396)
S5069

>  <Name> (396)
Dabrafenib Mesylate

>  <Synonyms> (396)
GSK2118436 Mesylate

>  <Target> (396)
Raf

>  <Form> (396)
mesylate

>  <CAS> (396)
1195768-06-9

>  <URL> (396)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/09292414072D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (397)
3804

>  <Formula> (397)
C12H9ClO2S

>  <MolWeight> (397)
252.71666

>  <Cat> (397)
S5438

>  <Name> (397)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (397)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (397)
HDAC

>  <Form> (397)
free base

>  <CAS> (397)
1623-93-4

>  <URL> (397)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09292414072D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (398)
3805

>  <Formula> (398)
C8H6BrN

>  <MolWeight> (398)
196.04394

>  <Cat> (398)
S5439

>  <Name> (398)
5-Bromoindole

>  <Synonyms> (398)
N/A

>  <Target> (398)
GSK-3

>  <Form> (398)
free base

>  <CAS> (398)
10075-50-0

>  <URL> (398)
http://selleckchem.com/products/5-bromoindole.html

$$$$
UM-164.cdx
csChFnd80/09292414072D

 45 49  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9784    7.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3076    7.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39  7  1  0  0  0  0
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M  END
>  <Mol_ID> (399)
3899

>  <Formula> (399)
C30H31F3N8O3S

>  <MolWeight> (399)
640.6791496

>  <Cat> (399)
S8706

>  <Name> (399)
UM-164

>  <Synonyms> (399)
N/A

>  <Target> (399)
p38 MAPK,Src

>  <Form> (399)
free base

>  <CAS> (399)
903564-48-7

>  <URL> (399)
http://selleckchem.com/products/um-164.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/09292414072D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (400)
3995

>  <Formula> (400)
C8H6N2O

>  <MolWeight> (400)
146.14604

>  <Cat> (400)
S9360

>  <Name> (400)
4-Hydroxyquinazoline

>  <Synonyms> (400)
Quinazolin-4-ol, 4-Quinazolinol

>  <Target> (400)
PARP

>  <Form> (400)
free base

>  <CAS> (400)
491-36-1

>  <URL> (400)
https://www.selleckchem.com/products/4-hydroxyquinazoline-.html

$$$$

csChFnd80/09292414072D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (401)
4091

>  <Formula> (401)
C8H16N2O4

>  <MolWeight> (401)
204.22364

>  <Cat> (401)
S5905

>  <Name> (401)
Suberohydroxamic acid

>  <Synonyms> (401)
suberic bishydroxamic acid

>  <Target> (401)
HDAC

>  <Form> (401)
Free Base

>  <CAS> (401)
38937-66-5

>  <URL> (401)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/09292414072D

 38 43  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (403)
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1672665-49-4

>  <URL> (403)
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>  <Formula> (404)
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>  <Target> (404)
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2088113-98-6

>  <URL> (404)
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>  <Synonyms> (405)
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>  <CAS> (405)
1362850-20-1

>  <URL> (405)
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    8.0883    6.5380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8  9  1  0  0  0  0
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  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (406)
4127

>  <Formula> (406)
C16H15FN4O

>  <MolWeight> (406)
298.3149032

>  <Cat> (406)
S8592

>  <Name> (406)
Pamiparib (BGB-290)

>  <Synonyms> (406)
N/A

>  <Target> (406)
PARP

>  <Form> (406)
Free Base

>  <CAS> (406)
1446261-44-4

>  <URL> (406)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (407)
4130

>  <Formula> (407)
C24H18ClN3O3

>  <MolWeight> (407)
431.87102

>  <Cat> (407)
S8654

>  <Name> (407)
ex229 (compound 991)

>  <Synonyms> (407)
N/A

>  <Target> (407)
AMPK

>  <Form> (407)
Free Base

>  <CAS> (407)
1219739-36-2

>  <URL> (407)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (408)
4137

>  <Formula> (408)
C20H16N4O

>  <MolWeight> (408)
328.36724

>  <Cat> (408)
S8729

>  <Name> (408)
AZ32

>  <Synonyms> (408)
N/A

>  <Target> (408)
ATM/ATR

>  <Form> (408)
Free Base

>  <CAS> (408)
2288709-96-4

>  <URL> (408)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09292414072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (409)
4139

>  <Formula> (409)
C17H20F3N7O2

>  <MolWeight> (409)
411.3816096

>  <Cat> (409)
S8738

>  <Name> (409)
Bimiralisib (PQR309)

>  <Synonyms> (409)
N/A

>  <Target> (409)
mTOR,PI3K

>  <Form> (409)
Free Base

>  <CAS> (409)
1225037-39-7

>  <URL> (409)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09292414072D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (410)
4142

>  <Formula> (410)
C25H25F3N4O4

>  <MolWeight> (410)
502.4856096

>  <Cat> (410)
S8745

>  <Name> (410)
Naporafenib (LXH254)

>  <Synonyms> (410)
N/A

>  <Target> (410)
Raf

>  <Form> (410)
Free Base

>  <CAS> (410)
1800398-38-2

>  <URL> (410)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09292414072D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1311    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5560    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1311    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7684    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.1966    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2598    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5889    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (411)
4145

>  <Formula> (411)
C21H25F3N6O2

>  <MolWeight> (411)
450.4574096

>  <Cat> (411)
S8752

>  <Name> (411)
leniolisib (CDZ 173)

>  <Synonyms> (411)
N/A

>  <Target> (411)
PI3K

>  <Form> (411)
Free Base

>  <CAS> (411)
1354690-24-6

>  <URL> (411)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/09292414072D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3587    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (412)
4154

>  <Formula> (412)
C23H32N2O2

>  <MolWeight> (412)
368.51238

>  <Cat> (412)
S8771

>  <Name> (412)
IDF-11774

>  <Synonyms> (412)
N/A

>  <Target> (412)
HIF

>  <Form> (412)
Free Base

>  <CAS> (412)
1429054-28-3

>  <URL> (412)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/09292414072D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.2783    4.1964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4910    3.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032    4.1973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    5.5973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4900    6.2969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2778    5.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    4.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202    5.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149    6.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9144    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1265    8.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    7.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017    8.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514    8.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7641    7.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9763    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9758    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7631   10.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5509    9.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879   10.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1890    7.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9159    3.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3408    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5529    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1276    5.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7656    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1910    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1905    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4037    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    7.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 13 15  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 24 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
 26 28  1  0  0  0  0
 23 24  1  0  0  0  0
  3 23  1  6  0  0  0
  5 36  1  1  0  0  0
  1 37  1  6  0  0  0
M  END
>  <Mol_ID> (413)
4168

>  <Formula> (413)
C25H24O12

>  <MolWeight> (413)
516.45086

>  <Cat> (413)
S9034

>  <Name> (413)
Isochlorogenic acid C

>  <Synonyms> (413)
3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid

>  <Target> (413)
ROS

>  <Form> (413)
free base

>  <CAS> (413)
57378-72-0

>  <URL> (413)
https://www.selleckchem.com/products/isochlorogenic-acid-c.html

$$$$

csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    1.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0139    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6212    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139    4.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    5.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.3311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6593    6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0117    7.2211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2970    5.5065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0017    6.2311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3640    7.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    0.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    1.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2865    0.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8979    5.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640    8.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    7.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    6.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  1  7  1  6  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  1  1  0  0  0  0
 12 14  1  0  0  0  0
 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
  4 16  1  0  0  0  0
 10 17  1  1  0  0  0
  2 18  1  1  0  0  0
  3 19  1  1  0  0  0
 13 20  1  6  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
  7 23  2  0  0  0  0
  9 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (414)
4223

>  <Formula> (414)
C20H28O5

>  <MolWeight> (414)
348.43332

>  <Cat> (414)
S9101

>  <Name> (414)
Ingenol

>  <Target> (414)
PKC

>  <Form> (414)
free base

>  <CAS> (414)
30220-46-3

>  <URL> (414)
https://www.selleckchem.com/products/ingenol.html

$$$$
S9102 Magnolin.cdx
csChFnd80/09292414072D

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ERK

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31008-18-1

>  <URL> (415)
https://www.selleckchem.com/products/magnolin.html

$$$$
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csChFnd80/09292414072D

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>  <Target> (416)
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>  <Form> (416)
free base

>  <CAS> (416)
39432-56-9

>  <URL> (416)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9107 Glycitein.cdx
csChFnd80/09292414072D

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Glycitein

>  <Target> (417)
ROS

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free base

>  <CAS> (417)
40957-83-3

>  <URL> (417)
https://www.selleckchem.com/products/glycitein.html

$$$$
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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (418)
4489

>  <Formula> (418)
C42H72O13

>  <MolWeight> (418)
785.01328

>  <Cat> (418)
S9021

>  <Name> (418)
(20R)Ginsenoside Rg3

>  <Synonyms> (418)
OG15964

>  <Target> (418)
ROS

>  <Form> (418)
free base

>  <CAS> (418)
38243-03-7

>  <URL> (418)
https://www.selleckchem.com/products/20r-ginsenoside-rg3.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (419)
4562

>  <Formula> (419)
C20H21N3O2

>  <MolWeight> (419)
335.39964

>  <Cat> (419)
S8049

>  <Name> (419)
Tubastatin A

>  <Target> (419)
Apoptosis related,Autophagy,HDAC

>  <CAS> (419)
1252003-15-8

>  <URL> (419)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/09292414072D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (420)
4704

>  <Formula> (420)
C11H15BrN2O

>  <MolWeight> (420)
271.1536

>  <Cat> (420)
S5810

>  <Name> (420)
UF010

>  <Synonyms> (420)
N/A

>  <Target> (420)
HDAC

>  <Form> (420)
Free Base

>  <CAS> (420)
537672-41-6

>  <URL> (420)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/09292414072D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (421)
4711

>  <Formula> (421)
C21H16FN7O

>  <MolWeight> (421)
401.3964432

>  <Cat> (421)
S5818

>  <Name> (421)
acalisib (GS-9820)

>  <Synonyms> (421)
CAL-120

>  <Target> (421)
PI3K

>  <Form> (421)
Free Base

>  <CAS> (421)
870281-34-8

>  <URL> (421)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/09292414072D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (422)
4726

>  <Formula> (422)
C15H16N2O2

>  <MolWeight> (422)
256.29974

>  <Cat> (422)
S8773

>  <Name> (422)
TH34

>  <Synonyms> (422)
N/A

>  <Target> (422)
HDAC

>  <Form> (422)
Free Base

>  <CAS> (422)
2196203-96-8

>  <URL> (422)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/09292414072D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (423)
4732

>  <Formula> (423)
C22H21F3N6O2

>  <MolWeight> (423)
458.4363496

>  <Cat> (423)
S8801

>  <Name> (423)
CC-90003

>  <Synonyms> (423)
N/A

>  <Target> (423)
ERK

>  <Form> (423)
Free Base

>  <CAS> (423)
1621999-82-3

>  <URL> (423)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/09292414072D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (424)
4733

>  <Formula> (424)
C27H19ClN2O3

>  <MolWeight> (424)
454.90436

>  <Cat> (424)
S8803

>  <Name> (424)
MK-3903

>  <Synonyms> (424)
N/A

>  <Target> (424)
AMPK

>  <Form> (424)
Free Base

>  <CAS> (424)
1219737-12-8

>  <URL> (424)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/09292414072D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (425)
5023

>  <Formula> (425)
C27H25N5O2

>  <MolWeight> (425)
451.5197

>  <Cat> (425)
S8755

>  <Name> (425)
AZ304

>  <Synonyms> (425)
N/A

>  <Target> (425)
Raf

>  <Form> (425)
free base

>  <CAS> (425)
942507-42-8

>  <URL> (425)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/09292414072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (426)
5075

>  <Formula> (426)
C21H19ClNO4+

>  <MolWeight> (426)
384.83286

>  <Cat> (426)
S1292

>  <Name> (426)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (426)
Broussonpapyrine chloride

>  <Target> (426)
PKC

>  <Form> (426)
Chloride

>  <CAS> (426)
3895-92-9

>  <URL> (426)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09292414072D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    1.1282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    2.4071    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5410    3.6861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    4.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    4.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    1.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9333    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0097    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4020    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9715    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    5.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 14 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (427)
5094

>  <Formula> (427)
C19H17N3O

>  <MolWeight> (427)
303.35778

>  <Cat> (427)
S2382

>  <Name> (427)
Evodiamine

>  <Synonyms> (427)
Isoevodiamine

>  <Target> (427)
NF-¦ÊB

>  <Form> (427)
Free Base

>  <CAS> (427)
518-17-2

>  <URL> (427)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/09292414072D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (428)
5101

>  <Formula> (428)
C13H8Cl2N2O4

>  <MolWeight> (428)
327.11962

>  <Cat> (428)
S3030

>  <Name> (428)
Niclosamide (BAY2353)

>  <Synonyms> (428)
Niclocide, NSC 178296

>  <Target> (428)
Autophagy,STAT

>  <Form> (428)
Free Base

>  <CAS> (428)
50-65-7

>  <URL> (428)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   12.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743   13.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    4.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    4.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6744   10.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743   14.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (429)
5141

>  <Formula> (429)
C23H26N6O2

>  <MolWeight> (429)
418.49154

>  <Cat> (429)
S6414

>  <Name> (429)
Apilimod (STA-5326)

>  <Synonyms> (429)
STA-5326

>  <Target> (429)
Interleukins,PIKfyve

>  <Form> (429)
Free Base

>  <CAS> (429)
541550-19-0

>  <URL> (429)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/09292414072D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    6.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (430)
5205

>  <Formula> (430)
C23H20FN7O

>  <MolWeight> (430)
429.4496032

>  <Cat> (430)
S8693

>  <Name> (430)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (430)
N/A

>  <Target> (430)
PI3K

>  <Form> (430)
Free Base

>  <CAS> (430)
2088525-31-7

>  <URL> (430)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/09292414072D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233   10.6564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1109   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1109   12.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860   11.3564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1702   13.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4702   11.8274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4070   10.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0779   11.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   12.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1161   10.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932   11.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8273    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.8136    5.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8769    7.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 20 44  1  1  0  0  0
 44 45  1  0  0  0  0
  8 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (431)
5206

>  <Formula> (431)
C37H41N9O3S

>  <MolWeight> (431)
691.84494

>  <Cat> (431)
S8701

>  <Name> (431)
MK-8353 (SCH900353)

>  <Synonyms> (431)
N/A

>  <Target> (431)
ERK

>  <Form> (431)
Free Base

>  <CAS> (431)
1184173-73-6

>  <URL> (431)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/09292414072D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    9.7497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0166    9.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (432)
5210

>  <Formula> (432)
C19H28Cl2N4O2

>  <MolWeight> (432)
415.35722

>  <Cat> (432)
S8769

>  <Name> (432)
Tinostamustine(EDO-S101)

>  <Synonyms> (432)
N/A

>  <Target> (432)
HDAC

>  <Form> (432)
Free Base

>  <CAS> (432)
1236199-60-2

>  <URL> (432)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/09292414072D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (433)
6472

>  <Formula> (433)
C16H15N3O2

>  <MolWeight> (433)
281.3092

>  <Cat> (433)
S6506

>  <Name> (433)
Compound 401

>  <Synonyms> (433)
N/A

>  <Target> (433)
DNA-PK,mTOR

>  <Form> (433)
free base

>  <CAS> (433)
168425-64-7

>  <URL> (433)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09292414072D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    2.4249    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
 15 17  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 12 30  1  0  0  0  0
 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (434)
6480

>  <Formula> (434)
C21H28N8O3S2

>  <MolWeight> (434)
504.62882

>  <Cat> (434)
S6516

>  <Name> (434)
GNE-477

>  <Synonyms> (434)
N/A

>  <Target> (434)
mTOR,PI3K

>  <Form> (434)
free base

>  <CAS> (434)
1032754-81-6

>  <URL> (434)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/09292414072D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    1.4000    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    6.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (435)
6495

>  <Formula> (435)
C29H24F3N5O

>  <MolWeight> (435)
515.5289696

>  <Cat> (435)
S6538

>  <Name> (435)
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>  <Synonyms> (435)
N/A

>  <Target> (435)
Raf

>  <Form> (435)
free base

>  <CAS> (435)
950736-05-7

>  <URL> (435)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/09292414072D

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 12 21  2  0  0  0  0
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>  <Mol_ID> (436)
6496

>  <Formula> (436)
C20H14Cl2FN5O2S

>  <MolWeight> (436)
478.3268632

>  <Cat> (436)
S6541

>  <Name> (436)
MTX-211

>  <Synonyms> (436)
N/A

>  <Target> (436)
EGFR,PI3K

>  <Form> (436)
free base

>  <CAS> (436)
1952236-05-3

>  <URL> (436)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/09292414072D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (437)
6510

>  <Formula> (437)
C19H20N4O3

>  <MolWeight> (437)
352.3871

>  <Cat> (437)
S6571

>  <Name> (437)
BQR695

>  <Synonyms> (437)
NVP-BQR695

>  <Target> (437)
PI4K

>  <Form> (437)
free base

>  <CAS> (437)
1513879-21-4

>  <URL> (437)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (438)
6512

>  <Formula> (438)
C22H18ClN5O2

>  <MolWeight> (438)
419.86362

>  <Cat> (438)
S6574

>  <Name> (438)
KDU691

>  <Synonyms> (438)
N/A

>  <Target> (438)
PI4K

>  <Form> (438)
free base

>  <CAS> (438)
1513879-19-0

>  <URL> (438)
http://www.selleck.cn/products/kdu691.html

$$$$

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    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
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  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (439)
6515

>  <Formula> (439)
C20H25F3N6O3

>  <MolWeight> (439)
454.4461096

>  <Cat> (439)
S6577

>  <Name> (439)
PKC-theta inhibitor

>  <Synonyms> (439)
N/A

>  <Target> (439)
PKC

>  <Form> (439)
free base

>  <CAS> (439)
736048-65-0

>  <URL> (439)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (440)
6535

>  <Formula> (440)
C21H24N4O4

>  <MolWeight> (440)
396.43966

>  <Cat> (440)
S8743

>  <Name> (440)
SKLB-23bb

>  <Synonyms> (440)
N/A

>  <Target> (440)
HDAC

>  <Form> (440)
free base

>  <CAS> (440)
1815580-06-3

>  <URL> (440)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/09292414072D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.5282    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0152    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4401    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0774    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0774    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 18 21  1  0  0  0  0
 15 18  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  2  6  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 29 33  2  0  0  0  0
 28 30  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (441)
6543

>  <Formula> (441)
C25H23N5O2S

>  <MolWeight> (441)
457.54742

>  <Cat> (441)
S8867

>  <Name> (441)
Bentamapimod (AS602801)

>  <Synonyms> (441)
N/A

>  <Target> (441)
JNK

>  <Form> (441)
free base

>  <CAS> (441)
848344-36-5

>  <URL> (441)
http://www.selleck.cn/products/bentamapimod.html

$$$$
