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azd6244.cdx
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212631-79-3

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391210-10-9

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$$$$
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M  END
>  <Mol_ID> (5)
32

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

>  <Name> (5)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

>  <CAS> (5)
639089-54-6

>  <URL> (5)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (6)
33

>  <Formula> (6)
C14H23Cl2N3O

>  <MolWeight> (6)
320.25792

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S1049

>  <Name> (6)
Y-27632 2HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
ROCK

>  <Form> (6)
Dihydrochloride

>  <CAS> (6)
129830-38-2

>  <URL> (6)
http://www.selleckchem.com/products/Y-27632.html

$$$$
AZD2281.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (7)
38

>  <Formula> (7)
C24H23FN4O3

>  <MolWeight> (7)
434.4628232

>  <Cat> (7)
S1060

>  <Name> (7)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (7)
KU-0059436 

>  <Target> (7)
PARP 

>  <Form> (7)
Free Base

>  <CAS> (7)
763113-22-0

>  <URL> (7)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (8)
42

>  <Formula> (8)
C22H16N4O3

>  <MolWeight> (8)
384.38744

>  <Cat> (8)
S1067

>  <Name> (8)
SB 431542

>  <Synonyms> (8)
N/A

>  <Target> (8)
TGF-beta/Smad

>  <Form> (8)
Free Base

>  <CAS> (8)
301836-41-9

>  <URL> (8)
http://www.selleckchem.com/products/SB-431542.html

$$$$

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>  <Mol_ID> (9)
48

>  <Formula> (9)
C25H23Cl2N5O

>  <MolWeight> (9)
480.38902

>  <Cat> (9)
S1078

>  <Name> (9)
MK-2206 dihydrochloride

>  <Synonyms> (9)
N/A

>  <Target> (9)
Akt

>  <Form> (9)
Dihydrochloride

>  <CAS> (9)
1032350-13-2

>  <URL> (9)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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ATM 

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587871-26-9

>  <URL> (10)
http://www.selleckchem.com/products/KU-55933.html

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>  <Mol_ID> (11)
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>  <Synonyms> (11)
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>  <Target> (11)
IGF-1R

>  <Form> (11)
Free Base

>  <CAS> (11)
1089283-49-7

>  <URL> (11)
http://www.selleckchem.com/products/GSK1904529A.html

$$$$
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956905-27-4

>  <URL> (12)
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M  END
>  <Mol_ID> (17)
98

>  <Formula> (17)
C27H27N5O3

>  <MolWeight> (17)
469.53498

>  <Cat> (17)
S1167

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CP-724714

>  <Synonyms> (17)
N/A

>  <Target> (17)
EGFR, HER2

>  <Form> (17)
Free Base

>  <CAS> (17)
537705-08-1

>  <URL> (17)
http://www.selleckchem.com/products/CP-724714.html

$$$$
TGX-221.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (18)
99

>  <Formula> (18)
C21H24N4O2

>  <MolWeight> (18)
364.44086

>  <Cat> (18)
S1169

>  <Name> (18)
TGX-221

>  <Synonyms> (18)
N/A

>  <Target> (18)
PI3K

>  <Form> (18)
Free Base

>  <CAS> (18)
663619-89-4

>  <URL> (18)
http://www.selleckchem.com/products/TGX-221.html

$$$$

csChFnd80/05071910232D

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M  END
>  <Mol_ID> (19)
103

>  <Formula> (19)
C25H27ClN6O3

>  <MolWeight> (19)
494.97328

>  <Cat> (19)
S1173

>  <Name> (19)
WZ4002

>  <Synonyms> (19)
N/A

>  <Target> (19)
EGFR

>  <Form> (19)
Free Base

>  <CAS> (19)
1213269-23-8

>  <URL> (19)
http://www.selleckchem.com/products/WZ4002.html

$$$$
BIBR1532.cdx
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M  END
>  <Mol_ID> (20)
114

>  <Formula> (20)
C21H17NO3

>  <MolWeight> (20)
331.36458

>  <Cat> (20)
S1186

>  <Name> (20)
BIBR1532

>  <Synonyms> (20)
N/A

>  <Target> (20)
Telomerase

>  <Form> (20)
Free Base

>  <CAS> (20)
321674-73-1

>  <URL> (20)
http://www.selleckchem.com/products/BIBR1532.html

$$$$
Aprepitant.cdx
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Aprepitant (MK-0869)

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MK-0869, MK-869, L-754030, Emend 

>  <Target> (21)
Substance P

>  <Form> (21)
Free Base

>  <CAS> (21)
170729-80-3

>  <URL> (21)
http://www.selleckchem.com/products/Aprepitant.html

$$$$
KU-0063794.cdx
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>  <Mol_ID> (22)
136

>  <Formula> (22)
C25H31N5O4

>  <MolWeight> (22)
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>  <Cat> (22)
S1226

>  <Name> (22)
Ku-0063794

>  <Synonyms> (22)
N/A

>  <Target> (22)
mTOR 

>  <Form> (22)
Free Base

>  <CAS> (22)
938440-64-3

>  <URL> (22)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
WYE-354.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (23)
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>  <Formula> (23)
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>  <MolWeight> (23)
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>  <Cat> (23)
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>  <Name> (23)
WYE-354

>  <Synonyms> (23)
N/A

>  <Target> (23)
mTOR 

>  <Form> (23)
Free Base

>  <CAS> (23)
1062169-56-5

>  <URL> (23)
http://www.selleckchem.com/products/WYE-354.html

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (24)
200

>  <Formula> (24)
C30H24N4O8

>  <MolWeight> (24)
568.53356

>  <Cat> (24)
S3057

>  <Name> (24)
Azilsartan Medoxomil (TAK-491)

>  <Synonyms> (24)
N/A

>  <Target> (24)
RAAS

>  <Form> (24)
Free Base

>  <CAS> (24)
863031-21-4

>  <URL> (24)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

$$$$
TG100-115.cdx
csChFnd80/05071910232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (25)
227

>  <Formula> (25)
C18H14N6O2

>  <MolWeight> (25)
346.34276

>  <Cat> (25)
S1352

>  <Name> (25)
TG100-115

>  <Synonyms> (25)
N/A

>  <Target> (25)
PI3K

>  <Form> (25)
Free Base

>  <CAS> (25)
677297-51-7

>  <URL> (25)
http://www.selleckchem.com/products/TG100-115.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (26)
279

>  <Formula> (26)
C31H31ClFN7O2

>  <MolWeight> (26)
588.0749432

>  <Cat> (26)
S1451

>  <Name> (26)
Aurora A Inhibitor I

>  <Synonyms> (26)
N/A

>  <Target> (26)
Aurora Kinase

>  <Form> (26)
Free Base

>  <CAS> (26)
1158838-45-9

>  <URL> (26)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/05071910232D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
280

>  <Formula> (27)
C30H33ClN4O2

>  <MolWeight> (27)
517.06162

>  <Cat> (27)
S1452

>  <Name> (27)
Ispinesib (SB-715992)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Kinesin

>  <Form> (27)
Free Base

>  <CAS> (27)
336113-53-2

>  <URL> (27)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
untitled.cdx
csChFnd80/05071910232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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Zibotentan (ZD4054)

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N/A

>  <Target> (28)
ETA Receptor

>  <Form> (28)
Free Base

>  <CAS> (28)
186497-07-4

>  <URL> (28)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

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294

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Safinamide Mesylate (FCE28073)

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FCE-28073(R-isomer), PNU-151774E, NW-1015 

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MAO

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Mesylate

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202825-46-5

>  <URL> (29)
http://www.selleckchem.com/products/Safinamide-mesilate.html

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GSK429286A

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N/A

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ROCK 

>  <Form> (30)
Free Base

>  <CAS> (30)
864082-47-3

>  <URL> (30)
http://www.selleckchem.com/products/GSK429286A.html

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1236699-92-5

>  <URL> (31)
http://www.selleckchem.com/products/AS703026.html

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314

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C22H19N3O4

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Tadalafil (Cialis)

>  <Synonyms> (32)
IC 351

>  <Target> (32)
PDE

>  <Form> (32)
Free Base

>  <CAS> (32)
171596-29-5

>  <URL> (32)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

$$$$
MK-1775.cdx
csChFnd80/05071910232D

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320

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C27H32N8O2

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S1525

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MK-1775

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Wee1

>  <Form> (33)
Free Base

>  <CAS> (33)
955365-80-7

>  <URL> (33)
http://www.selleckchem.com/products/MK-1775.html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/05071910232D

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>  <Mol_ID> (34)
334

>  <Formula> (34)
C21H25ClO6

>  <MolWeight> (34)
408.8726

>  <Cat> (34)
S1548

>  <Name> (34)
Dapagliflozin

>  <Synonyms> (34)
BMS-512148

>  <Target> (34)
SGLT 

>  <Form> (34)
Free Base

>  <CAS> (34)
461432-26-8

>  <URL> (34)
http://www.selleckchem.com/products/Dapagliflozin.html

$$$$
Pimobendan.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (35)
335

>  <Formula> (35)
C19H18N4O2

>  <MolWeight> (35)
334.37182

>  <Cat> (35)
S1550

>  <Name> (35)
Pimobendan (Vetmedin)

>  <Synonyms> (35)
Acardi, pimobendane

>  <Target> (35)
PDE

>  <Form> (35)
Free Base

>  <CAS> (35)
74150-27-9

>  <URL> (35)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

$$$$
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csChFnd80/05071910232D

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mTOR

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1009298-09-2

>  <URL> (36)
http://www.selleckchem.com/products/AZD8055.html

$$$$
EX527.cdx
csChFnd80/05071910232D

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SEN0014196

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Sirtuin

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Free Base

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49843-98-3

>  <URL> (37)
http://www.selleckchem.com/products/EX-527.html

$$$$
KU-60019.cdx
csChFnd80/05071910232D

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350

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C30H33N3O5S

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S1570

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KU-60019

>  <Synonyms> (38)
N/A

>  <Target> (38)
ATM 

>  <Form> (38)
Free Base

>  <CAS> (38)
925701-49-1

>  <URL> (38)
http://www.selleckchem.com/products/KU-60019.html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (39)
354

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C26H21N3O2S

>  <MolWeight> (39)
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>  <Cat> (39)
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>  <Name> (39)
Tie2 kinase inhibitor

>  <Synonyms> (39)
N/A

>  <Target> (39)
Tie-2

>  <Form> (39)
Free Base

>  <CAS> (39)
948557-43-5

>  <URL> (39)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
Apixaban.cdx
csChFnd80/05071910232D

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503612-47-3

>  <URL> (40)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
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473

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CTEP (RO4956371)

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N/A

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GluR

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Free Base

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871362-31-1

>  <URL> (41)
http://www.selleckchem.com/products/ctep.html

$$$$
Raltegravir.cdx
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498

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C20H21FN6O5

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444.4163432

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Raltegravir (MK-0518)

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Isentress 

>  <Target> (42)
Integrase

>  <Form> (42)
Free Base

>  <CAS> (42)
518048-05-0

>  <URL> (42)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

$$$$
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575

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C31H34Cl2N2O3

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SB743921 HCl

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N/A

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Kinesin

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Hydrochloride

>  <CAS> (43)
940929-33-9

>  <URL> (43)
http://www.selleckchem.com/products/SB-743921.html

$$$$
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>  <Target> (44)
EGFR, HER2

>  <Form> (44)
Free Base

>  <CAS> (44)
848942-61-0

>  <URL> (44)
http://www.selleckchem.com/products/AZD8931.html

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>  <Name> (45)
GSK461364

>  <Synonyms> (45)
N/A

>  <Target> (45)
PLK

>  <Form> (45)
Free Base

>  <CAS> (45)
929095-18-1

>  <URL> (45)
http://www.selleckchem.com/products/GSK461364.html

$$$$
Mubritinib.cdx
csChFnd80/05071910232D

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592

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C25H23F3N4O2

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>  <Cat> (46)
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>  <Name> (46)
Mubritinib (TAK 165)

>  <Synonyms> (46)
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>  <Target> (46)
HER2

>  <Form> (46)
Free Base

>  <CAS> (46)
366017-09-6

>  <URL> (46)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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>  <Target> (47)
STAT

>  <Form> (47)
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>  <CAS> (47)
35825-57-1

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

$$$$
Icariin.cdx
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Src

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Free Base

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936563-96-1

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http://www.selleckchem.com/products/pci-32765.html

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366789-02-8

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Nepicastat hydrochloride

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Hydroxylase

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Hydrochloride

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170151-24-3

>  <URL> (64)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

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264218-23-7

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http://www.selleckchem.com/products/sb-415286.html

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mTOR 

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Free Base

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1224844-38-5

>  <URL> (66)
http://www.selleckchem.com/products/ink128.html

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668270-12-0

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Free Base

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607742-69-8

>  <URL> (86)
http://www.selleckchem.com/products/sb-742457.html

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ZM 323881 HCl

>  <Synonyms> (87)
N/A

>  <Target> (87)
VEGFR

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Hydrochloride

>  <CAS> (87)
193000-39-4

>  <URL> (87)
http://www.selleckchem.com/products/zm-323881-hcl.html

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>  <Mol_ID> (88)
1139

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C15H13ClFNO2

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>  <Name> (88)
Lumiracoxib (COX-189)

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N/A

>  <Target> (88)
COX

>  <Form> (88)
Free Base

>  <CAS> (88)
220991-20-8

>  <URL> (88)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

$$$$
JNJ7777120.cdx
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459168-41-3

>  <URL> (89)
http://www.selleckchem.com/products/jnj-7777120.html

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HIF

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931398-72-0

>  <URL> (90)
http://www.selleckchem.com/products/iox2.html

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M  END
>  <Mol_ID> (100)
1405

>  <Formula> (100)
C24H28N2O7S2

>  <MolWeight> (100)
520.61832

>  <Cat> (100)
S4102

>  <Name> (100)
Eprosartan Mesylate

>  <Synonyms> (100)
N/A

>  <Target> (100)
RAAS

>  <Form> (100)
Mesylate

>  <CAS> (100)
144143-96-4 

>  <URL> (100)
http://www.selleckchem.com/products/eprosartan-mesylate.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/05071910232D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
1505

>  <Formula> (101)
C19H20F3IN2O5S

>  <MolWeight> (101)
572.3371796

>  <Cat> (101)
S1089

>  <Name> (101)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (101)
BAY 869766

>  <Target> (101)
MEK

>  <Form> (101)
Free Base

>  <CAS> (101)
923032-37-5

>  <URL> (101)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/05071910232D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
1533

>  <Formula> (102)
C22H26ClF2NO4

>  <MolWeight> (102)
441.8959464

>  <Cat> (102)
S1549

>  <Name> (102)
Nebivolol HCl

>  <Synonyms> (102)
N/A

>  <Target> (102)
Adrenergic Receptor

>  <Form> (102)
Hydrochloride

>  <CAS> (102)
152520-56-4

>  <URL> (102)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (103)
1544

>  <Formula> (103)
C14H16ClF2N3S

>  <MolWeight> (103)
331.8117464

>  <Cat> (103)
S4926

>  <Name> (103)
(R)-Nepicastat HCl

>  <Synonyms> (103)
RS-25560-198 HCl

>  <Target> (103)
Hydroxylase

>  <Form> (103)
Hydrochloride

>  <CAS> (103)
195881-94-8

>  <URL> (103)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

$$$$
S4002.cdx
csChFnd80/05071910232D

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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (104)
1553

>  <Formula> (104)
C16H20F6N5O6P

>  <MolWeight> (104)
523.3240802

>  <Cat> (104)
S4002

>  <Name> (104)
Sitagliptin phosphate monohydrate

>  <Synonyms> (104)
MK-0431

>  <Target> (104)
DPP-4

>  <Form> (104)
phosphate &monohydrate

>  <CAS> (104)
654671-77-9

>  <URL> (104)
http://www.selleckchem.com/products/Sitagliptin.html

$$$$
MK4827.cdx
csChFnd80/05071910232D

 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
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   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
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  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (105)
1721

>  <Formula> (105)
C19H20N4O

>  <MolWeight> (105)
320.3883

>  <Cat> (105)
S2741

>  <Name> (105)
MK-4827(Niraparib)

>  <Synonyms> (105)
N/A

>  <Target> (105)
PARP

>  <Form> (105)
Free Base

>  <CAS> (105)
1038915-60-4

>  <URL> (105)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/05071910232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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  2  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
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (106)
1825

>  <Formula> (106)
C15H14N4O2S

>  <MolWeight> (106)
314.36226

>  <Cat> (106)
S3673

>  <Name> (106)
Sulfaphenazole

>  <Synonyms> (106)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (106)
CYP2C9

>  <Form> (106)
free base

>  <CAS> (106)
526-08-9

>  <URL> (106)
http://www.selleckchem.com/products/sulfaphenazole.html

$$$$
S4800 Daminozide.cdx
csChFnd80/05071910232D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    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
    6.0622    1.4000    0.0000 N   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
    7.2746    2.1000    0.0000 N   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
    8.4870    1.4000    0.0000 C   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
    0.0000    2.1000    0.0000 O   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
  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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (107)
2052

>  <Formula> (107)
C6H12N2O3

>  <MolWeight> (107)
160.17108

>  <Cat> (107)
S4800

>  <Name> (107)
Daminozide

>  <Synonyms> (107)
Aminozide, Succinic Acid

>  <Target> (107)
PHF8,KDM2A 

>  <Form> (107)
free base

>  <CAS> (107)
1596-84-5

>  <URL> (107)
http://www.selleckchem.com/products/daminozide.html

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/05071910232D

 45 48  0  0  0  0  0  0  0  0999 V2000
    7.6344    8.5760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.0697    8.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    7.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    6.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    5.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2362   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  1  5  1  6  0  0  0
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 30 36  1  0  0  0  0
  1 26  1  0  0  0  0
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 43 45  2  0  0  0  0
M  END
>  <Mol_ID> (108)
2118

>  <Formula> (108)
C36H35BrN2O6

>  <MolWeight> (108)
671.5769

>  <Cat> (108)
S4854

>  <Name> (108)
Bedaquiline fumarate

>  <Synonyms> (108)
TMC-207

>  <Target> (108)
Antifection

>  <Form> (108)
fumarate

>  <CAS> (108)
845533-86-0

>  <URL> (108)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

$$$$
S4935 Asunaprevir.cdx
csChFnd80/05071910232D

 51 55  0  0  0  0  0  0  0  0999 V2000
   11.6416    9.7408    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2495    9.5925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6819    8.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2150    7.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (109)
2121

>  <Formula> (109)
C35H46ClN5O9S

>  <MolWeight> (109)
748.28584

>  <Cat> (109)
S4935

>  <Name> (109)
Asunaprevir

>  <Synonyms> (109)
BMS-650032

>  <Target> (109)
hepatitis C virus enzyme serine protease NS

>  <Form> (109)
free base

>  <CAS> (109)
630420-16-5

>  <URL> (109)
http://www.selleckchem.com/products/asunaprevir.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/05071910232D

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>  <Mol_ID> (110)
2271

>  <Formula> (110)
C11H6F3NO2S

>  <MolWeight> (110)
273.2310496

>  <Cat> (110)
S8005

>  <Name> (110)
SMI-4a

>  <Synonyms> (110)
N/A

>  <Target> (110)
Pim

>  <Form> (110)
Free Base

>  <CAS> (110)
438190-29-5

>  <URL> (110)
http://www.selleckchem.com/products/smi-4a.html

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (111)
2281

>  <Formula> (111)
C25H26Cl3N7O

>  <MolWeight> (111)
546.87924

>  <Cat> (111)
S8012

>  <Name> (111)
CP-945598 HCl

>  <Synonyms> (111)
N/A

>  <Target> (111)
Cannabinoid Receptor

>  <Form> (111)
Hydrochloride

>  <CAS> (111)
686347-12-6

>  <URL> (111)
http://www.selleckchem.com/products/cp-945598-hcl.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (112)
2290

>  <Formula> (112)
C18H20N2O4S

>  <MolWeight> (112)
360.4274

>  <Cat> (112)
S8023

>  <Name> (112)
TCS 359

>  <Synonyms> (112)
N/A

>  <Target> (112)
FLT3

>  <Form> (112)
Free Base

>  <CAS> (112)
301305-73-7

>  <URL> (112)
http://www.selleckchem.com/products/tcs-359.html

$$$$
NSC23766.cdx
csChFnd80/05071910232D

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Rac

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HCl

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>  <URL> (113)
http://www.selleckchem.com/products/nsc-23766.html

$$$$
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>  <Mol_ID> (114)
2301

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>  <Name> (114)
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>  <Synonyms> (114)
N/A

>  <Target> (114)
Bcl-2

>  <Form> (114)
Free Base

>  <CAS> (114)
1257044-40-8

>  <URL> (114)
http://www.selleckchem.com/products/abt-199.html

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/05071910232D

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>  <Formula> (115)
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>  <Synonyms> (115)
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>  <Target> (115)
SGLT

>  <Form> (115)
Free Base

>  <CAS> (115)
864070-44-0

>  <URL> (115)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

$$$$
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1022150-57-7

>  <URL> (120)
http://www.selleckchem.com/products/SGX-523.html

$$$$
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(CP358774, NSC 718781) HCl

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EGFR

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Hydrochloride

>  <CAS> (121)
183319-69-9

>  <URL> (121)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

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(-)-Huperzine A (HupA)

>  <Synonyms> (122)
N/A

>  <Target> (122)
AChR & GluR

>  <Form> (122)
Free Base

>  <CAS> (122)
102518-79-6

>  <URL> (122)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

$$$$
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PDE

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Free Base

>  <CAS> (123)
801312-28-7

>  <URL> (123)
http://www.selleckchem.com/products/gsk256066.html

$$$$
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Aurora Kinase

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>  <CAS> (124)
1095382-05-0

>  <URL> (124)
http://www.selleckchem.com/products/cct137690.html

$$$$
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M  END
>  <Mol_ID> (125)
2430

>  <Formula> (125)
C23H17FN6O

>  <MolWeight> (125)
412.4190832

>  <Cat> (125)
S2788

>  <Name> (125)
Capmatinib (INCB28060)

>  <Synonyms> (125)
N/A

>  <Target> (125)
c-Met 

>  <Form> (125)
Free Base

>  <CAS> (125)
1029712-80-8

>  <URL> (125)
http://www.selleckchem.com/products/incb28060.html

$$$$
IPA-3.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (126)
2444

>  <Formula> (126)
C20H14O2S2

>  <MolWeight> (126)
350.45396

>  <Cat> (126)
S7093

>  <Name> (126)
IPA-3

>  <Synonyms> (126)
N/A

>  <Target> (126)
PAK

>  <Form> (126)
Free Base

>  <CAS> (126)
42521-82-4

>  <URL> (126)
https://www.selleckchem.com/products/ipa-3.html

$$$$
TCID.cdx
csChFnd80/05071910232D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
2462

>  <Formula> (127)
C9H2Cl4O2

>  <MolWeight> (127)
283.92298

>  <Cat> (127)
S7140

>  <Name> (127)
TCID

>  <Synonyms> (127)
UCH-L3 Inhibitor

>  <Target> (127)
DUB

>  <Form> (127)
Free Base

>  <CAS> (127)
30675-13-9

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

$$$$
CNX-2006.cdx
csChFnd80/05071910232D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
2472

>  <Formula> (128)
C26H27F4N7O2

>  <MolWeight> (128)
545.5318928

>  <Cat> (128)
S7206

>  <Name> (128)
CNX-2006

>  <Synonyms> (128)
N/A

>  <Target> (128)
EGFR

>  <Form> (128)
Free Base

>  <CAS> (128)
1375465-09-0

>  <URL> (128)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
PYR 41.cdx
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418805-02-4

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EPZ005687

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Histone Methyltransferase

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Free Base

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1396772-26-1

>  <URL> (130)
http://www.selleckchem.com/products/epz005687.html

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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

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312636-16-1

>  <URL> (131)
http://www.selleckchem.com/products/ski-ii.html

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GSK2334470.cdx
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1227911-45-6

>  <URL> (132)
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csChFnd80/05071910232D

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M  END
>  <Mol_ID> (134)
2526

>  <Formula> (134)
C21H19FN4O

>  <MolWeight> (134)
362.4001632

>  <Cat> (134)
S7229

>  <Name> (134)
RGFP966

>  <Synonyms> (134)
N/A

>  <Target> (134)
HDAC

>  <Form> (134)
Free Base

>  <CAS> (134)
1396841-57-8

>  <URL> (134)
http://www.selleckchem.com/products/rgfp966.html

$$$$
dynasore .cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (135)
2531

>  <Formula> (135)
C18H14N2O4

>  <MolWeight> (135)
322.31476

>  <Cat> (135)
S8047

>  <Name> (135)
Dynasore

>  <Synonyms> (135)
N/A

>  <Target> (135)
Dynamin

>  <Form> (135)
Free Base

>  <CAS> (135)
304448-55-3

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

$$$$
SGC 0946.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (136)
2533

>  <Formula> (136)
C28H40BrN7O4

>  <MolWeight> (136)
618.5657

>  <Cat> (136)
S7079

>  <Name> (136)
SGC 0946

>  <Synonyms> (136)
N/A

>  <Target> (136)
Histone Methyltransferase

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
AZD1981.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (137)
2537

>  <Formula> (137)
C19H17ClN2O3S

>  <MolWeight> (137)
388.86788

>  <Cat> (137)
S7263

>  <Name> (137)
AZD1981

>  <Synonyms> (137)
N/A

>  <Target> (137)
GPR

>  <Form> (137)
Free Base

>  <CAS> (137)
802904-66-1

>  <URL> (137)
http://www.selleckchem.com/products/azd1981.html

$$$$
SRPIN340.cdx
csChFnd80/05071910232D

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FGFR

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848318-25-2

>  <URL> (142)
http://www.selleckchem.com/products/ssr128129e.html

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>  <Formula> (143)
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UNC1999

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N/A

>  <Target> (143)
Histone Methyltransferase

>  <Form> (143)
Free Base

>  <CAS> (143)
1431612-23-5

>  <URL> (143)
http://www.selleckchem.com/products/unc1999.html

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1337531-36-8

>  <URL> (144)
http://www.selleckchem.com/products/gsk2606414.html

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BTK

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1202757-89-8

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Aurora Kinase

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885325-71-3

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http://www.selleckchem.com/products/mk-8745.html

$$$$
Atglistatin.cdx
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C17H21N3O

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Lipase

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Free Base

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1469924-27-3

>  <URL> (152)
http://www.selleckchem.com/products/atglistatin.html

$$$$
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>  <Mol_ID> (153)
2664

>  <Formula> (153)
C27H45IN2

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524.56407

>  <Cat> (153)
S7436 

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NH125

>  <Synonyms> (153)
N/A

>  <Target> (153)
CaMK

>  <Form> (153)
iodide

>  <CAS> (153)
278603-08-0

>  <URL> (153)
http://www.selleckchem.com/products/nh125.html

$$$$
LDN193189 HCl.cdx
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2671

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C25H23ClN6

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>  <Name> (154)
LDN193189 HCl

>  <Synonyms> (154)
N/A

>  <Target> (154)
TGF-beta/Smad

>  <Form> (154)
Hydrochloride

>  <CAS> (154)
1062368-62-0

>  <URL> (154)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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GSK-3

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Free Base

>  <CAS> (155)
676596-65-9

>  <URL> (155)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/05071910232D

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ISRIB (trans-isomer)

>  <Synonyms> (156)
N/A

>  <Target> (156)
PERK

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/isrib-trans-isomer.html

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csChFnd80/05071910232D

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2681

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C19H23N3O3

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Nexturastat A

>  <Synonyms> (157)
N/A

>  <Target> (157)
Nexturastat A

>  <Form> (157)
Free Base

>  <CAS> (157)
1403783-31-2

>  <URL> (157)
http://www.selleckchem.com/products/nexturastat-a.html

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Dehydrogenase

>  <Form> (158)
Free Base 

>  <CAS> (158)
1432660-47-3

>  <URL> (158)
http://www.selleckchem.com/products/agi-6780.html

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1062368-49-3

>  <URL> (159)
http://www.selleckchem.com/products/ml347.html

$$$$
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M  END
>  <Mol_ID> (181)
2851

>  <Formula> (181)
C22H30N4O6

>  <MolWeight> (181)
446.4968

>  <Cat> (181)
S7596

>  <Name> (181)
CAY10603

>  <Synonyms> (181)
N/A

>  <Target> (181)
HDAC

>  <Form> (181)
Free Base

>  <CAS> (181)
1045792-66-2

>  <URL> (181)
http://www.selleckchem.com/products/cay10603.html

$$$$
TH588.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (182)
2868

>  <Formula> (182)
C13H12Cl2N4

>  <MolWeight> (182)
295.16718

>  <Cat> (182)
S7632

>  <Name> (182)
TH588

>  <Synonyms> (182)
N/A

>  <Target> (182)
MTH1

>  <Form> (182)
Free Base

>  <CAS> (182)
1609960-31-7

>  <URL> (182)
http://www.selleckchem.com/products/th588.html

$$$$
FTI 277 HCl.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (183)
2874

>  <Formula> (183)
C22H30ClN3O3S2

>  <MolWeight> (183)
484.0749

>  <Cat> (183)
S7465

>  <Name> (183)
FTI 277 HCl

>  <Synonyms> (183)
N/A

>  <Target> (183)
Transferase

>  <Form> (183)
hydrochloride salt

>  <CAS> (183)
180977-34-8

>  <URL> (183)
http://www.selleckchem.com/products/fti-277-hcl.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (184)
2876

>  <Formula> (184)
C24H28Cl2N2O4

>  <MolWeight> (184)
479.39612

>  <Cat> (184)
S7720

>  <Name> (184)
SBE 13 HCl

>  <Synonyms> (184)
N/A

>  <Target> (184)
PLK

>  <Form> (184)
Hydrochloride

>  <CAS> (184)
1052532-15-6

>  <URL> (184)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
SD208.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (185)
2879

>  <Formula> (185)
C17H10ClFN6

>  <MolWeight> (185)
352.7529032

>  <Cat> (185)
S7624

>  <Name> (185)
SD-208

>  <Synonyms> (185)
N/A

>  <Target> (185)
TGF-beta/Smad

>  <Form> (185)
Free Base

>  <CAS> (185)
627536-09-8

>  <URL> (185)
http://www.selleckchem.com/products/sd-208.html

$$$$
XEN445.cdx
csChFnd80/05071910232D

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A   27
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http://www.selleckchem.com/products/xen445.html

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953769-46-5

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2891

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C28H25FN6O3

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GSK-3

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Free Base

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603288-22-8

>  <URL> (188)
http://www.selleckchem.com/products/ly2090314.html

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Dihydrochloride

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1431368-48-7

>  <URL> (189)
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M  END
>  <Mol_ID> (190)
2898

>  <Formula> (190)
C31H38N6O2

>  <MolWeight> (190)
526.67242

>  <Cat> (190)
S7061

>  <Name> (190)
GSK126

>  <Synonyms> (190)
N/A

>  <Target> (190)
Histone Methyltransferase

>  <Form> (190)
Free Base

>  <CAS> (190)
1346574-57-9

>  <URL> (190)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (191)
2902

>  <Formula> (191)
C20H25N5O3

>  <MolWeight> (191)
383.4442

>  <Cat> (191)
S7748

>  <Name> (191)
EPZ015666

>  <Synonyms> (191)
N/A

>  <Target> (191)
Histone Methyltransferase

>  <Form> (191)
Free Base

>  <CAS> (191)
1616391-65-1

>  <URL> (191)
http://www.selleckchem.com/products/epz015666.html

$$$$
Erlotinib free Base.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (192)
2907

>  <Formula> (192)
C22H23N3O4

>  <MolWeight> (192)
393.43572

>  <Cat> (192)
S7786

>  <Name> (192)
Erlotinib

>  <Synonyms> (192)
CP358774, NSC 718781

>  <Target> (192)
EGFR

>  <Form> (192)
Free Base

>  <CAS> (192)
183321-74-6

>  <URL> (192)
http://www.selleckchem.com/products/erlotinib.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (193)
2910

>  <Formula> (193)
C24H30ClN7O2

>  <MolWeight> (193)
483.9937

>  <Cat> (193)
S1116

>  <Name> (193)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (193)
N/A

>  <Target> (193)
CDK

>  <Form> (193)
Hydrochloride

>  <CAS> (193)
827022-32-2, 571190-30-2 (free base)

>  <URL> (193)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/05071910232D

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 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (194)
2911

>  <Formula> (194)
C26H35N7O6S

>  <MolWeight> (194)
573.6644

>  <Cat> (194)
S1579

>  <Name> (194)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (194)
N/A

>  <Target> (194)
CDK

>  <Form> (194)
Isethionate

>  <CAS> (194)
827022-33-3, 571190-30-2(free base)

>  <URL> (194)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/05071910232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (195)
2953

>  <Formula> (195)
C21H21F3IN3O2

>  <MolWeight> (195)
531.3100196

>  <Cat> (195)
S8041

>  <Name> (195)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (195)
XL518

>  <Target> (195)
MEK

>  <Form> (195)
Free Base

>  <CAS> (195)
934660-93-2

>  <URL> (195)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BPTES.cdx
csChFnd80/05071910232D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8764    0.7715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    2.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8999    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0988    2.8252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3161    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9342    2.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 10  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
2956

>  <Formula> (196)
C24H24N6O2S3

>  <MolWeight> (196)
524.68136

>  <Cat> (196)
S7753

>  <Name> (196)
BPTES

>  <Synonyms> (196)
N/A

>  <Target> (196)
Glutaminase

>  <Form> (196)
Free Base

>  <CAS> (196)
314045-39-1

>  <URL> (196)
http://www.selleckchem.com/products/bptes.html

$$$$
CPI-360.cdx
csChFnd80/05071910232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   10.0028    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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 27  1  0  0  0  0
M  END
>  <Mol_ID> (197)
2999

>  <Formula> (197)
C25H31N3O4

>  <MolWeight> (197)
437.53134

>  <Cat> (197)
S7656

>  <Name> (197)
CPI-360

>  <Synonyms> (197)
N/A

>  <Target> (197)
Histone Methyltransferase

>  <Form> (197)
Free Base

>  <CAS> (197)
1802175-06-9

>  <URL> (197)
http://www.selleckchem.com/products/cpi-360.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/05071910232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (201)
3034

>  <Formula> (201)
C21H24N4O3

>  <MolWeight> (201)
380.44026

>  <Cat> (201)
S7906

>  <Name> (201)
PFI-4

>  <Synonyms> (201)
N/A

>  <Target> (201)
Epigenetic Reader Domain

>  <Form> (201)
Free Base

>  <CAS> (201)
900305-37-5

>  <URL> (201)
http://www.selleckchem.com/products/pfi-4.html

$$$$
ORY-1001.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (202)
3051

>  <Formula> (202)
C15H24Cl2N2

>  <MolWeight> (202)
303.27046

>  <Cat> (202)
S7795

>  <Name> (202)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (202)
N/A

>  <Target> (202)
Histone Demethylase

>  <Form> (202)
Dihydrochloride

>  <CAS> (202)
1431326-61-2

>  <URL> (202)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/05071910232D

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>  <Mol_ID> (203)
3063

>  <Formula> (203)
C24H20Cl2FN5O2

>  <MolWeight> (203)
500.3523032

>  <Cat> (203)
S7709

>  <Name> (203)
VX-11e

>  <Synonyms> (203)
VTX-11e, Vertex-11e

>  <Target> (203)
ERK

>  <Form> (203)
Free Base

>  <CAS> (203)
896720-20-0

>  <URL> (203)
http://www.selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (204)
3070

>  <Formula> (204)
C27H34N4O5

>  <MolWeight> (204)
494.58266

>  <Cat> (204)
S7238

>  <Name> (204)
NVP-TNKS656

>  <Synonyms> (204)
N/A

>  <Target> (204)
PARP

>  <Form> (204)
Free Base

>  <CAS> (204)
1419949-20-4

>  <URL> (204)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
CC-223.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (205)
3096

>  <Formula> (205)
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>  <MolWeight> (205)
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>  <Cat> (205)
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CC-223

>  <Synonyms> (205)
N/A

>  <Target> (205)
mTOR

>  <Form> (205)
Free Base

>  <CAS> (205)
1228013-30-6

>  <URL> (205)
http://www.selleckchem.com/products/cc-223.html

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256373-96-3

>  <URL> (206)
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1383716-33-3

>  <URL> (207)
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1645286-75-4

>  <URL> (208)
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Adrenergic Receptor

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1217094-53-5

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Hydrochloride

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$$$$
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I-BRD9 (GSK602)

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GSK602

>  <Target> (211)
Epigenetic Reader Domain

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Free Base

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1714146-59-4

>  <URL> (211)
http://www.selleckchem.com/products/i-brd9-gsk602.html

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SB366791 (SB-366791)

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N/A

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TRPV

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Free Base

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472981-92-3

>  <URL> (212)
http://www.selleckchem.com/products/sb366791.html

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Histone Methyltransferase

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1527503-11-2

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http://www.selleckchem.com/products/a-366.html

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PI3K

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1254036-66-2

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http://www.selleckchem.com/products/gsk2292767.html

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c-Met

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    1.2790    4.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9049    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5734    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1960    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (218)
3214

>  <Formula> (218)
C24H24FN7O

>  <MolWeight> (218)
445.4920632

>  <Cat> (218)
S8292

>  <Name> (218)
Selonsertib (GS-4997)

>  <Synonyms> (218)
N/A

>  <Target> (218)
Caspase

>  <Form> (218)
Free Base

>  <CAS> (218)
1448428-04-3

>  <URL> (218)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/05071910232D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6890    8.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7792    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (219)
3228

>  <Formula> (219)
C28H28ClN3O3

>  <MolWeight> (219)
489.99322

>  <Cat> (219)
S7959

>  <Name> (219)
SIS3 HCl

>  <Synonyms> (219)
N/A

>  <Target> (219)
TGF-beta/Smad

>  <Form> (219)
hydrochloride

>  <CAS> (219)
521984-48-5

>  <URL> (219)
http://www.selleckchem.com/products/sis3.html

$$$$
KYA1797K.cdx
csChFnd80/05071910232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   13.8907    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8807   10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    9.6650    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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  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (220)
3239

>  <Formula> (220)
C17H11KN2O6S2

>  <MolWeight> (220)
442.50734

>  <Cat> (220)
S8327

>  <Name> (220)
KYA1797K

>  <Synonyms> (220)
N/A

>  <Target> (220)
Wnt/beta-catenin

>  <Form> (220)
potassium salt

>  <CAS> (220)
1956356-56-1

>  <URL> (220)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BAY-61-3606.cdx
csChFnd80/05071910232D

 31 32  0  0  0  0  0  0  0  0999 V2000
   16.9421    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7296    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6416    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4291    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6416    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.1075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.1075    0.0000 Cl  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
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 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 15 20  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (221)
3242

>  <Formula> (221)
C20H20Cl2N6O3

>  <MolWeight> (221)
463.3172

>  <Cat> (221)
S7006

>  <Name> (221)
BAY-61-3606

>  <Synonyms> (221)
N/A

>  <Target> (221)
Syk

>  <Form> (221)
dihydrochloride

>  <CAS> (221)
648903-57-5

>  <URL> (221)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/05071910232D

 36 39  0  0  0  0  0  0  0  0999 V2000
    5.1544    6.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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LOXO-101(sulfate)

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N/A

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Trk receptor

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sulfate

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1223405-08-0

>  <URL> (222)
http://www.selleckchem.com/products/loxo-101.html

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CPI-637

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N/A

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Epigenetic Reader Domain

>  <Form> (223)
Free Base

>  <CAS> (223)
1884712-47-3

>  <URL> (223)
http://www.selleckchem.com/products/cpi-637.html

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BDA-366.cdx
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3272

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C24H29N3O4

>  <MolWeight> (224)
423.50476

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S7849

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BDA-366

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N/A

>  <Target> (224)
Bcl-2

>  <Form> (224)
Free Base

>  <CAS> (224)
1909226-00-1

>  <URL> (224)
http://www.selleckchem.com/products/bda-366.html

$$$$
untitled.cdx
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>  <Mol_ID> (225)
3273

>  <Formula> (225)
C38H47ClN4O4

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659.25718

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S7875

>  <Name> (225)
NVP-CGM097

>  <Synonyms> (225)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (225)
E3 Ligase

>  <Form> (225)
Free Base

>  <CAS> (225)
1313363-54-0

>  <URL> (225)
http://www.selleckchem.com/products/nvp-cgm097.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/05071910232D

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.0329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6703    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9449    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1573    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8205    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024    0.6391    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
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  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  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
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (226)
3287

>  <Formula> (226)
C26H24N8O2

>  <MolWeight> (226)
480.52116

>  <Cat> (226)
S8362

>  <Name> (226)
ARRY-380 (ONT-380)

>  <Synonyms> (226)
Tucatinib

>  <Target> (226)
HER2

>  <Form> (226)
Free Base

>  <CAS> (226)
937263-43-9

>  <URL> (226)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
EPZ020411.cdx
csChFnd80/05071910232D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.2085    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9085    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3085    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0085    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3085    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9085    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0085    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4391    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4795    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6919    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4008    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3376    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7070    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1396    1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6438    3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0132    3.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9500    4.6085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3194    4.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286   11.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.4593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.4593    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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  6 19  1  0  0  0  0
 20 19  1  1  0  0  0
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 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (227)
3322

>  <Formula> (227)
C25H40Cl2N4O3

>  <MolWeight> (227)
515.5161

>  <Cat> (227)
S7820

>  <Name> (227)
EPZ020411 2HCl

>  <Synonyms> (227)
N/A

>  <Target> (227)
Histone Methyltransferase

>  <Form> (227)
dihydrochloride

>  <CAS> (227)
1700663-41-7(free base)

>  <URL> (227)
http://www.selleckchem.com/products/epz020411.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/05071910232D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   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
    2.4249    4.9000    0.0000 N   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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    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 N   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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
  3  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
  7 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
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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> (228)
3331

>  <Formula> (228)
C21H25N7O

>  <MolWeight> (228)
391.4695

>  <Cat> (228)
S8456

>  <Name> (228)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (228)
N/A

>  <Target> (228)
PI3K

>  <Form> (228)
Free Base

>  <CAS> (228)
1383716-46-8

>  <URL> (228)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/05071910232D

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    1.2124    6.3000    0.0000 O   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
    1.4349    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    3.2101    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
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6356    1.3566    0.0000 Cl  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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
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 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (229)
3342

>  <Formula> (229)
C14H17Cl2N5O4S

>  <MolWeight> (229)
422.28688

>  <Cat> (229)
S8457

>  <Name> (229)
UK-371804 HCl

>  <Synonyms> (229)
UK-371804 HCl

>  <Target> (229)
Serine Protease

>  <Form> (229)
hydrochloride

>  <CAS> (229)
256476-36-5

>  <URL> (229)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
Thiomyristoyl.cdx
csChFnd80/05071910232D

 41 42  0  0  0  0  0  0  0  0999 V2000
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C34H51N3O3S

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Thiomyristoyl

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TM

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Sirtuin

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Free Base

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1429749-41-6

>  <URL> (230)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
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LDC4297 (LDC044297)

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CDK

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Free Base

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1453834-21-3

>  <URL> (231)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
PD-166866.cdx
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PD-166866

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192705-79-6

>  <URL> (232)
http://www.selleckchem.com/products/pd-166866.html

$$$$
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hydrate 

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1201913-82-7

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http://www.selleckchem.com/products/tofogliflozin-csg-452.html

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RIP3K

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1346546-69-7

>  <URL> (243)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

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PI3K¦Á 

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1268454-23-4

>  <URL> (244)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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PHGDH

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1916571-90-8

>  <URL> (245)
http://www.selleckchem.com/products/nct-503.html

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>  <URL> (246)
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$$$$
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516480-79-8

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1951483-29-6

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3506

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C20H22ClN7O

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411.88798

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S8666

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BAY 1895344

>  <Synonyms> (251)
N/A

>  <Target> (251)
ATR

>  <Form> (251)
hydrochloride

>  <CAS> (251)
1876467-74-1(free base)

>  <URL> (251)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/05071910232D

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>  <Mol_ID> (252)
3540

>  <Formula> (252)
C17H15N9

>  <MolWeight> (252)
345.3613

>  <Cat> (252)
S7674

>  <Name> (252)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (252)
Volitinib

>  <Target> (252)
MET

>  <Form> (252)
free base

>  <CAS> (252)
1313725-88-0

>  <URL> (252)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
H3B-6527.cdx
csChFnd80/05071910232D

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3549

>  <Formula> (253)
C29H34Cl2N8O4

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H3B-6527

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>  <Target> (253)
FGFR4

>  <Form> (253)
free base

>  <CAS> (253)
1702259-66-2

>  <URL> (253)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
LLY-283.cdx
csChFnd80/05071910232D

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3582

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C17H18N4O4

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LLY-283

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N/A

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PRMT5

>  <Form> (254)
free base

>  <CAS> (254)
2040291-27-6

>  <URL> (254)
http://www.selleckchem.com/products/lly-283.html

$$$$
PF-06651600.cdx
csChFnd80/05071910232D

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1792180-81-4

>  <URL> (255)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/05071910232D

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 10  5  1  0  0  0  0
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 21 17  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
M  END
>  <Mol_ID> (256)
3617

>  <Formula> (256)
C29H44F2N6O2

>  <MolWeight> (256)
546.6954664

>  <Cat> (256)
S7230

>  <Name> (256)
UNC0642

>  <Synonyms> (256)
N/A

>  <Target> (256)
G9a,GLP

>  <Form> (256)
free base

>  <CAS> (256)
1481677-78-4

>  <URL> (256)
http://www.selleckchem.com/products/unc0642.html

$$$$
SHP099.cdx
csChFnd80/05071910232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 21 16  1  0  0  0  0
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M  END
>  <Mol_ID> (257)
3626

>  <Formula> (257)
C16H20Cl3N5

>  <MolWeight> (257)
388.7225

>  <Cat> (257)
S8278

>  <Name> (257)
SHP099 hydrochloride

>  <Synonyms> (257)
N/A

>  <Target> (257)
phosphatase

>  <Form> (257)
hydrochloride 

>  <CAS> (257)
1801747-42-1(free base)

>  <URL> (257)
http://selleckchem.com/products/shp099-dihydrochloride.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/05071910232D

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  2  0  0  0  0
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M  END
>  <Mol_ID> (258)
3666

>  <Formula> (258)
C23H38N6O6S

>  <MolWeight> (258)
526.64942

>  <Cat> (258)
S5074

>  <Name> (258)
Argatroban Monohydrate

>  <Synonyms> (258)
Argatroban hydrate, Argipidine

>  <Target> (258)
Thrombin

>  <CAS> (258)
141396-28-3

>  <URL> (258)
http://selleckchem.com/products/argatroban-monohydrate.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/05071910232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  3  2  1  0  0  0  0
 12  2  1  0  0  0  0
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 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  7 18  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
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M  END
>  <Mol_ID> (259)
3669

>  <Formula> (259)
C16H15F6N5O

>  <MolWeight> (259)
407.3136192

>  <Cat> (259)
S5079

>  <Name> (259)
Sitagliptin

>  <Synonyms> (259)
MK-0431

>  <Target> (259)
DPP-4

>  <Form> (259)
free base

>  <CAS> (259)
486460-32-6

>  <URL> (259)
http://selleckchem.com/products/sitagliptin.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/05071910232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
3685

>  <Formula> (260)
C18H13BrN2O4S2

>  <MolWeight> (260)
465.34082

>  <Cat> (260)
S8652

>  <Name> (260)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (260)
N/A

>  <Target> (260)
CDK

>  <CAS> (260)
432001-69-9

>  <URL> (260)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/05071910232D

 31 35  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
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M  END
>  <Mol_ID> (261)
3703

>  <Formula> (261)
C23H18FN5O2

>  <MolWeight> (261)
415.4197232

>  <Cat> (261)
S8672

>  <Name> (261)
Tenalisib (RP6530)

>  <Synonyms> (261)
N/A

>  <Target> (261)
PI3K

>  <Form> (261)
free base

>  <CAS> (261)
1639417-53-0

>  <URL> (261)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/05071910232D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
3727

>  <Formula> (262)
C20H20FKN6O5

>  <MolWeight> (262)
482.5067032

>  <Cat> (262)
S5245

>  <Name> (262)
Raltegravir potassium

>  <Synonyms> (262)
N/A

>  <Target> (262)
Integrase,HIV Protease

>  <Form> (262)
potassium salt

>  <CAS> (262)
871038-72-1

>  <URL> (262)
http://selleckchem.com/products/raltegravir-potassium.html

$$$$
Cu-CPT22.cdx
csChFnd80/05071910232D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
3733

>  <Formula> (263)
C19H22O7

>  <MolWeight> (263)
362.37378

>  <Cat> (263)
S8677

>  <Name> (263)
Cu-CPT22

>  <Synonyms> (263)
N/A

>  <Target> (263)
TLR

>  <Form> (263)
free base

>  <CAS> (263)
1416324-85-0

>  <URL> (263)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/05071910232D

 35 38  0  0  0  0  0  0  0  0999 V2000
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HCV Protease

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free base

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1132935-63-7

>  <URL> (264)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
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ATM/ATR

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free base

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2089288-03-7

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free base

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2049868-46-2

>  <URL> (266)
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csChFnd80/05071910232D

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bpV (HOpic)

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Bisperoxovanadium(HOpic)

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PTEN

>  <Form> (267)
potassium 

>  <CAS> (267)
722494-26-0

>  <URL> (267)
http://selleckchem.com/products/bpv-hopic.html

$$$$
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M  END
>  <Mol_ID> (268)
3866

>  <Formula> (268)
C24H24F3N5O5S3

>  <MolWeight> (268)
615.6680696

>  <Cat> (268)
S5069

>  <Name> (268)
Dabrafenib Mesylate

>  <Synonyms> (268)
GSK2118436 Mesylate

>  <Target> (268)
Raf

>  <Form> (268)
mesylate

>  <CAS> (268)
1195768-06-9

>  <URL> (268)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (269)
4000

>  <Formula> (269)
C24H35ClO9

>  <MolWeight> (269)
502.9823

>  <Cat> (269)
S5566

>  <Name> (269)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (269)
N/A

>  <Target> (269)
SGLT

>  <Form> (269)
monohydrate

>  <CAS> (269)
960404-48-2

>  <URL> (269)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/05071910232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (270)
4073

>  <Formula> (270)
C22H25ClO7

>  <MolWeight> (270)
436.8827

>  <Cat> (270)
S5413

>  <Name> (270)
Ertugliflozin

>  <Synonyms> (270)
PF-04971729?

>  <Target> (270)
SGLT2

>  <Form> (270)
free base

>  <CAS> (270)
1210344-57-2

>  <URL> (270)
http://selleckchem.com/products/.html

$$$$
S5623 Bedaquiline.cdx
csChFnd80/05071910232D

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>  <Mol_ID> (271)
4100

>  <Formula> (271)
C32H31BrN2O2

>  <MolWeight> (271)
555.50474

>  <Cat> (271)
S5623

>  <Name> (271)
Bedaquiline

>  <Synonyms> (271)
TMC207; R207910

>  <Target> (271)
tuberculosis

>  <Form> (271)
free base

>  <CAS> (271)
843663-66-1

>  <URL> (271)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (272)
4103

>  <Formula> (272)
C30H34N8O3

>  <MolWeight> (272)
554.64276

>  <Cat> (272)
S8724

>  <Name> (272)
Lazertinib (YH25448,GNS-1480)

>  <Form> (272)
free base

>  <CAS> (272)
1903008-80-9

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (273)
4144

>  <Formula> (273)
C8H6N2O

>  <MolWeight> (273)
146.14604

>  <Cat> (273)
S9360

>  <Name> (273)
4-Hydroxyquinazoline

>  <Form> (273)
free base

>  <CAS> (273)
491-36-1

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (274)
4529

>  <Formula> (274)
C38H54N2O10S2

>  <MolWeight> (274)
762.97276

>  <Cat> (274)
S9500

>  <Name> (274)
Valbenazine tosylate

>  <Form> (274)
free base

>  <CAS> (274)
1639208-54-0

$$$$
GI254023X.cdx
csChFnd80/05071910232D

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M  END
>  <Mol_ID> (275)
4662

>  <Formula> (275)
C21H33N3O4

>  <MolWeight> (275)
391.50442

>  <Cat> (275)
S8660

>  <Name> (275)
GI254023X

>  <Synonyms> (275)
GI 4023

>  <Target> (275)
Immunology & Inflammation related

>  <Form> (275)
free base

>  <CAS> (275)
260264-93-5

>  <URL> (275)
http://selleckchem.com/products/gi254023x.html

$$$$
S5476 Rolapitant.cdx
csChFnd80/05071910232D

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Rolapitant

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NK1-receptor

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552292-08-7

>  <URL> (276)
https://www.selleckchem.com/products/rolapitant.html

$$$$
S5667 Fruquintinib.cdx
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VEGFRs

>  <CAS> (277)
1194506-26-7

>  <URL> (277)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

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315705-75-0

>  <URL> (278)
http://www.selleckchem.com/products/jnj0966.html

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870281-34-8

>  <URL> (279)
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433695-36-4

>  <URL> (280)
http://www.selleckchem.com/products/brl-50481.html

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4880

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C48H52F2O11S2

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>  <Cat> (281)
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>  <Name> (281)
Canagliflozin hemihydrate

>  <Synonyms> (281)
N/A

>  <Target> (281)
SGLT

>  <Form> (281)
hemihydrate

>  <CAS> (281)
928672-86-0

>  <URL> (281)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/05071910232D

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M  END
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4882

>  <Formula> (282)
C16H15N3O3

>  <MolWeight> (282)
297.3086

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S5903

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WHI-P131

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JAK

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Free Base

>  <CAS> (282)
202475-60-3

>  <URL> (282)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/05071910232D

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4893

>  <Formula> (283)
C22H26N4O3

>  <MolWeight> (283)
394.46684

>  <Cat> (283)
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>  <Synonyms> (283)
N/A

>  <Target> (283)
Epigenetic Reader Do

>  <Form> (283)
Free Base

>  <CAS> (283)
901245-65-6

>  <URL> (283)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

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 13 14  1  0  0  0  0
  9 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (284)
4901

>  <Formula> (284)
C17H27Cl2NO

>  <MolWeight> (284)
332.30838

>  <Cat> (284)
S5926

>  <Name> (284)
Pitolisant hydrochloride

>  <Synonyms> (284)
Tiprolisant hydrochloride, BF-2649 HCl

>  <Target> (284)
Histamine Receptor

>  <Form> (284)
hydrochloride

>  <CAS> (284)
903576-44-3

>  <URL> (284)
http://www.selleckchem.com/products/pitolisant-hydrochloride.html

$$$$

csChFnd80/05071910232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 17 18  2  0  0  0  0
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  8 17  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (285)
4907

>  <Formula> (285)
C13H15N3O2S

>  <MolWeight> (285)
277.3421

>  <Cat> (285)
S5933

>  <Name> (285)
K 858

>  <Synonyms> (285)
N/A

>  <Target> (285)
Kinesin

>  <Form> (285)
Free Base

>  <CAS> (285)
72926-24-0

>  <URL> (285)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/05071910232D

 31 34  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
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   10.9119    2.8000    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
  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
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 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 17  1  0  0  0  0
 11 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (286)
4918

>  <Formula> (286)
C24H28N4O3

>  <MolWeight> (286)
420.50412

>  <Cat> (286)
S8556

>  <Name> (286)
AZ31

>  <Synonyms> (286)
N/A

>  <Target> (286)
ATM/ATR

>  <Form> (286)
Free Base

>  <CAS> (286)
2088113-98-6

>  <URL> (286)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/05071910232D

 22 26  0  0  0  0  0  0  0  0999 V2000
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  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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 10 11  2  0  0  0  0
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 12  6  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
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 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (287)
4920

>  <Formula> (287)
C16H15FN4O

>  <MolWeight> (287)
298.3149032

>  <Cat> (287)
S8592

>  <Name> (287)
Pamiparib (BGB-290)

>  <Synonyms> (287)
N/A

>  <Target> (287)
PARP

>  <Form> (287)
Free Base

>  <CAS> (287)
1446261-44-4

>  <URL> (287)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/05071910232D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (288)
4922

>  <Formula> (288)
C13H12ClN3O2

>  <MolWeight> (288)
277.70628

>  <Cat> (288)
S8641

>  <Name> (288)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (288)
Necrostatin-1 stable

>  <Target> (288)
TNF-alpha

>  <Form> (288)
Free Base

>  <CAS> (288)
852391-15-2

>  <URL> (288)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/05071910232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (289)
4930

>  <Formula> (289)
C18H18FN5O2S

>  <MolWeight> (289)
387.4312232

>  <Cat> (289)
S8727

>  <Name> (289)
Atuveciclib (BAY-1143572)

>  <Synonyms> (289)
N/A

>  <Target> (289)
CDK

>  <Form> (289)
Free Base

>  <CAS> (289)
1414943-88-6

>  <URL> (289)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

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4936

>  <Formula> (290)
C25H25F3N4O4

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502.4856096

>  <Cat> (290)
S8745

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N/A

>  <Target> (290)
Raf

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Free Base

>  <CAS> (290)
1800398-38-2

>  <URL> (290)
http://www.selleckchem.com/products/lxh254.html

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M  END
>  <Mol_ID> (291)
4952

>  <Formula> (291)
C18H13F2N3O3S

>  <MolWeight> (291)
389.3759264

>  <Cat> (291)
S8776

>  <Name> (291)
WM-1119

>  <Synonyms> (291)
N/A

>  <Target> (291)
Histone Acetyltransf

>  <Form> (291)
Free Base

>  <CAS> (291)
2055397-28-7

>  <URL> (291)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/05071910232D

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4953

>  <Formula> (292)
C25H27N5O2

>  <MolWeight> (292)
429.51418

>  <Cat> (292)
S8777

>  <Name> (292)
Evobrutinib

>  <Synonyms> (292)
M-2951, MSC-2364447C

>  <Target> (292)
BTK

>  <Form> (292)
Free Base

>  <CAS> (292)
1415823-73-2

>  <URL> (292)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/05071910232D

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>  <Mol_ID> (293)
4958

>  <Formula> (293)
C17H13ClN2O3

>  <MolWeight> (293)
328.74972

>  <Cat> (293)
S8813

>  <Name> (293)
LIT-927

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N/A

>  <Target> (293)
CXCR

>  <Form> (293)
Free Base

>  <CAS> (293)
2172879-52-4

>  <URL> (293)
http://www.selleckchem.com/products/lit-927.html

$$$$

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M  END
>  <Mol_ID> (294)
5286

>  <Formula> (294)
C25H23FN8O2S2

>  <MolWeight> (294)
550.6309232

>  <Cat> (294)
S7564

>  <Name> (294)
SAR125844

>  <Synonyms> (294)
N/A

>  <Target> (294)
c-Met

>  <Form> (294)
free base

>  <CAS> (294)
1116743-46-4

>  <URL> (294)
http://www.selleck.cn/products/sar125844.html

$$$$

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>  <Mol_ID> (295)
5287

>  <Formula> (295)
C38H37ClN8O7S

>  <MolWeight> (295)
785.26778

>  <Cat> (295)
S8296

>  <Name> (295)
dBET1

>  <Synonyms> (295)
N/A

>  <Target> (295)
Epigenetic Reader Do

>  <Form> (295)
free base

>  <CAS> (295)
1799711-21-9

>  <URL> (295)
http://www.selleck.cn/products/bet1.html

$$$$
