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ROCK

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129830-38-2

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untitled.cdx
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GSK-3 

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280744-09-4

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http://www.selleckchem.com/products/SB-216763.html

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152121-47-6

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Hedgehog, P-gp

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879085-55-9

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66

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C19H17NO3

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LY294002

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N/A

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PI3K 

>  <Form> (6)
Free Base

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

>  <URL> (6)
http://www.selleckchem.com/products/LY294002.html

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81

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C19H23N7O2

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S1134

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AT9283

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N/A

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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896466-04-9

>  <URL> (7)
http://www.selleckchem.com/products/AT9283.html

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95

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C16H15NO7S

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NSC 74859 (S3I-201)

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STAT

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Free Base

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501919-59-1

>  <URL> (8)
http://www.selleckchem.com/products/S31-201.html

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>  <URL> (9)
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Gamma-secretase

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Free Base

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1146699-66-2

>  <URL> (10)
http://www.selleckchem.com/products/BMS-708163.html

$$$$
PD173074.cdx
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FGFR, VEGFR

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Free Base

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219580-11-7

>  <URL> (11)
http://www.selleckchem.com/products/PD-173074.html

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Dexamethasone.cdx
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215

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C22H29FO5

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S1322

>  <Name> (12)
Dexamethasone

>  <Synonyms> (12)
Decadron

>  <Target> (12)
IL Receptor

>  <Form> (12)
Free Base

>  <CAS> (12)
18296

>  <URL> (12)
http://www.selleckchem.com/products/Dexamethasone.html

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/12292111062D

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221

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Fluoxetine  HCl

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>  <CAS> (13)
56296-78-7

>  <URL> (13)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

$$$$
resveratrol.cdx
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501-36-0

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864082-47-3

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TGF-beta/Smad

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356559-20-1

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http://www.selleckchem.com/products/SB-525334.html

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21679-14-1

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M  END
>  <Mol_ID> (20)
319

>  <Formula> (20)
C16H17Cl2N5O2

>  <MolWeight> (20)
382.24448

>  <Cat> (20)
S1524

>  <Name> (20)
AT7519

>  <Synonyms> (20)
N/A

>  <Target> (20)
CDK 

>  <Form> (20)
Free Base

>  <CAS> (20)
844442-38-2

>  <URL> (20)
http://www.selleckchem.com/products/AT7519.html

$$$$
Fasudil HCl.cdx
csChFnd80/12292111062D

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  1  2  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (21)
352

>  <Formula> (21)
C14H18ClN3O2S

>  <MolWeight> (21)
327.82962

>  <Cat> (21)
S1573

>  <Name> (21)
Fasudil HCl (HA-1077)

>  <Synonyms> (21)
AT-877 

>  <Target> (21)
ROCK

>  <Form> (21)
Hydrochloride

>  <CAS> (21)
105628-07-7

>  <URL> (21)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
Semagacestat.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (22)
358

>  <Formula> (22)
C19H27N3O4

>  <MolWeight> (22)
361.43538

>  <Cat> (22)
S1594

>  <Name> (22)
Semagacestat (LY450139)

>  <Synonyms> (22)
LY-450139, LY450139

>  <Target> (22)
Gamma-secretase

>  <Form> (22)
Free Base

>  <CAS> (22)
425386-60-3

>  <URL> (22)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/12292111062D

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M  END
>  <Mol_ID> (23)
360

>  <Formula> (23)
C27H30Cl2F2N6O

>  <MolWeight> (23)
563.4695064

>  <Cat> (23)
S2686

>  <Name> (23)
NVP-BSK805 2HCl

>  <Synonyms> (23)
N/A

>  <Target> (23)
JAK

>  <Form> (23)
HCl

>  <CAS> (23)
1092499-93-8 (free base)

>  <URL> (23)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/12292111062D

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  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
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 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> (24)
391

>  <Formula> (24)
C19H28O8

>  <MolWeight> (24)
384.42082

>  <Cat> (24)
S2265

>  <Name> (24)
Artesunate

>  <Synonyms> (24)
N/A

>  <Target> (24)
STAT

>  <Form> (24)
Free Base

>  <CAS> (24)
88495-63-0

>  <URL> (24)
http://www.selleckchem.com/products/Artesunate.html

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/12292111062D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (25)
396

>  <Formula> (25)
C20H28O2

>  <MolWeight> (25)
300.43512

>  <Cat> (25)
S1653

>  <Name> (25)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (25)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (25)
Retinoid Receptor

>  <Form> (25)
Free Base

>  <CAS> (25)
302-79-4

>  <URL> (25)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12292111062D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  6  0  0  0
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M  END
>  <Mol_ID> (26)
459

>  <Formula> (26)
C8H12N4O5

>  <MolWeight> (26)
244.20468

>  <Cat> (26)
S1782

>  <Name> (26)
Azacitidine (Vidaza)

>  <Synonyms> (26)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (26)
DNA/RNA Synthesis

>  <Form> (26)
Free Base

>  <CAS> (26)
320-67-2

>  <URL> (26)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12292111062D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  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
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  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (27)
486

>  <Formula> (27)
C4H12ClN5

>  <MolWeight> (27)
165.62458

>  <Cat> (27)
S1950

>  <Name> (27)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (27)
Glucophage, Riomet, Diabex

>  <Target> (27)
Others

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
1115-70-4

>  <URL> (27)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/12292111062D

 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
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
527

>  <Formula> (28)
C16H10N2O2

>  <MolWeight> (28)
262.2628

>  <Cat> (28)
S2386

>  <Name> (28)
Indirubin

>  <Synonyms> (28)
N/A

>  <Target> (28)
GSK-3

>  <Form> (28)
Free Base

>  <CAS> (28)
479-41-4 

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

$$$$
CHIR-98014.cdx
csChFnd80/12292111062D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
550

>  <Formula> (29)
C20H17Cl2N9O2

>  <MolWeight> (29)
486.31408

>  <Cat> (29)
S2745

>  <Name> (29)
CHIR-98014

>  <Synonyms> (29)
N/A

>  <Target> (29)
GSK-3

>  <Form> (29)
Free Base

>  <CAS> (29)
252935-94-7

>  <URL> (29)
http://www.selleckchem.com/products/chir-98014.html

$$$$
GW788388(1).cdx
csChFnd80/12292111062D

 32 36  0  0  0  0  0  0  0  0999 V2000
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610

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Verteporfin (Visudyne)

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Visudyne

>  <Target> (33)
5-alpha Reductase 

>  <Form> (33)
Free Base

>  <CAS> (33)
129497-78-5

>  <URL> (33)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

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CEP33779

>  <Synonyms> (34)
N/A

>  <Target> (34)
JAK

>  <Form> (34)
Free Base

>  <CAS> (34)
1257704-57-6

>  <URL> (34)
http://www.selleckchem.com/products/cep33779.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/12292111062D

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644

>  <Formula> (35)
C24H31FO6

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434.4977432

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S3124

>  <Name> (35)
Dexamethasone acetate

>  <Synonyms> (35)
N/A

>  <Target> (35)
IL Receptor,Autophagy

>  <Form> (35)
Free Base

>  <CAS> (35)
1177-87-3

>  <URL> (35)
http://www.selleckchem.com/products/dexamethasone-acetate.html

$$$$
LDE225.cdx
csChFnd80/12292111062D

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LDE225 (NVP-LDE225, Erismodegib)

>  <Synonyms> (36)
N/A 

>  <Target> (36)
Smoothened

>  <Form> (36)
Free Base

>  <CAS> (36)
956697-53-3

>  <URL> (36)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
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1229236-86-5

>  <URL> (37)
http://www.selleckchem.com/products/LY2784544.html

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DAPT (GSI-IX)

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GSI-IX

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Gamma-secretase, Beta Amyloid

>  <Form> (38)
Free Base

>  <CAS> (38)
208255-80-5

>  <URL> (38)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

$$$$
Cryptotanshinone.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (39)
713

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C19H20O3

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S2285

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Cryptotanshinone

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N/A

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STAT

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Free Base

>  <CAS> (39)
35825-57-1

>  <URL> (39)
http://www.selleckchem.com/products/Cryptotanshinone.html

$$$$
Hesperetin.cdx
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>  <Mol_ID> (40)
730

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C16H14O6

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Hesperetin

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N/A

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Histamine Receptor

>  <Form> (40)
Free Base

>  <CAS> (40)
520-33-2

>  <URL> (40)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Curcumol.cdx
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C15H24O2

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Curcumol

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N/A

>  <Target> (41)
JAK

>  <Form> (41)
Free Base

>  <CAS> (41)
4871-97-0

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

$$$$
LY 411575.cdx
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936091-14-4

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http://www.selleckchem.com/products/tg101209.html

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700874-72-2

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601514-19-6

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N/A

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Wnt/beta-catenin

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Free Base

>  <CAS> (46)
780757-88-2

>  <URL> (46)
http://www.selleckchem.com/products/icg-001.html

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>  <Synonyms> (47)
N/A

>  <Target> (47)
Gamma-secretase

>  <Form> (47)
Free Base

>  <CAS> (47)
209984-56-5

>  <URL> (47)
http://www.selleckchem.com/products/yo-01027.html

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>  <Synonyms> (48)
N/A

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JAK 

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Free Base

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936091-26-8

>  <URL> (48)
http://www.selleckchem.com/products/tg-101348.html

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GSK-3

>  <Form> (49)
Free Base

>  <CAS> (49)
264218-23-7

>  <URL> (49)
http://www.selleckchem.com/products/sb-415286.html

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Free Base

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865854-05-3 

>  <URL> (51)
http://www.selleckchem.com/products/tideglusib.html

$$$$
WHI-P154.cdx
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JAK, EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
211555-04-3

>  <URL> (52)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
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1091

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C22H34O7

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Forskolin

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Coleonol

>  <Target> (53)
cAMP

>  <Form> (53)
Free Base

>  <CAS> (53)
66575-29-9

>  <URL> (53)
http://www.selleckchem.com/products/forskolin.html

$$$$
Pirfenidone.cdx
csChFnd80/12292111062D

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TGF-beta/Smad

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Free Base

>  <CAS> (54)
53179-13-8

>  <URL> (54)
http://www.selleckchem.com/products/pirfenidone.html

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TDZD-8.cdx
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>  <URL> (55)
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$$$$
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    6.0496    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    8.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    8.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    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  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  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 11  2  0  0  0  0
 11  4  1  0  0  0  0
  9 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
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  1 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28  1  1  0  0  0  0
M  END
>  <Mol_ID> (56)
1237

>  <Formula> (56)
C18H14N4O5S

>  <MolWeight> (56)
398.39256

>  <Cat> (56)
S1576

>  <Name> (56)
Sulfasalazine (Azulfidine)

>  <Synonyms> (56)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (56)
COX,NF-¦ÊB

>  <Form> (56)
Free Base

>  <CAS> (56)
599-79-1

>  <URL> (56)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

$$$$
aicar.cdx
csChFnd80/12292111062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    1.0404    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    5.3608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0547    6.6398    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1253

>  <Formula> (57)
C9H14N4O5

>  <MolWeight> (57)
258.23126

>  <Cat> (57)
S1802

>  <Name> (57)
AICAR (Acadesine)

>  <Synonyms> (57)
AICAR, AICA-riboside

>  <Target> (57)
AMPK

>  <Form> (57)
Free Base

>  <CAS> (57)
2627-69-2

>  <URL> (57)
http://www.selleckchem.com/products/Acadesine.html

$$$$
nifuroxazide.cdx
csChFnd80/12292111062D

 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
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    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> (58)
1364

>  <Formula> (58)
C12H9N3O5

>  <MolWeight> (58)
275.21696

>  <Cat> (58)
S4182

>  <Name> (58)
Nifuroxazide

>  <Synonyms> (58)
N/A

>  <Target> (58)
STAT

>  <Form> (58)
Free Base

>  <CAS> (58)
965-52-6

>  <URL> (58)
http://www.selleckchem.com/products/nifuroxazide.html

$$$$
S4747 Jervine.cdx
csChFnd80/12292111062D

 36 41  0  0  0  0  0  0  0  0999 V2000
    8.8342    5.3534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4492    5.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    5.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584    6.6295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4670    4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888    6.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    6.8993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2855    7.6307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1950    6.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6527    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2623    3.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2548    4.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7131    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1678    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.3522    5.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4942    9.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8959    9.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2087    0.7056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7131    6.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1649    8.2481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7137    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1678    3.3564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9178    1.4163    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  1  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  6  0  0  0
  9 15  1  0  0  0  0
  9 33  1  1  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  6  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  1  0  0  0
 17 22  1  0  0  0  0
 17 36  1  6  0  0  0
 19 23  1  1  0  0  0
 19 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  1  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
>  <Mol_ID> (59)
1714

>  <Formula> (59)
C27H39NO3

>  <MolWeight> (59)
425.60346

>  <Cat> (59)
S4747

>  <Name> (59)
Jervine

>  <Synonyms> (59)
11-Ketocyclopamine

>  <Target> (59)
Hedgehog/Smoothened

>  <Form> (59)
Free Base

>  <CAS> (59)
469-59-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/12292111062D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    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
  3  6  1  0  0  0  0
  3  7  2  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
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1758

>  <Formula> (60)
C9H10O4

>  <MolWeight> (60)
182.1733

>  <Cat> (60)
S3630

>  <Name> (60)
Methyl Vanillate

>  <Synonyms> (60)
N/A

>  <Target> (60)
Wnt/¦Â-Catenin

>  <Form> (60)
free base

>  <CAS> (60)
3943-74-6

>  <URL> (60)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12292111062D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
1825

>  <Formula> (61)
C17H17N3Na2O8

>  <MolWeight> (61)
437.31172

>  <Cat> (61)
S3745

>  <Name> (61)
Balsalazide disodium

>  <Synonyms> (61)
N/A

>  <Target> (61)
Immunology & Inflammation related

>  <Form> (61)
disodium salt dihydrate

>  <CAS> (61)
150399-21-6

>  <URL> (61)
http://www.selleckchem.com/products/balsalazide-disodium.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (62)
1894

>  <Formula> (62)
C21H20O12

>  <MolWeight> (62)
464.3763

>  <Cat> (62)
S3842

>  <Name> (62)
Isoquercitrin

>  <Synonyms> (62)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (62)
Wnt/¦Â-catenin

>  <Form> (62)
free base

>  <CAS> (62)
482-35-9

>  <URL> (62)
http://www.selleckchem.com/products/isoquercitrin.html

$$$$
LY2109761.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (63)
1987

>  <Formula> (63)
C26H27N5O2

>  <MolWeight> (63)
441.52488

>  <Cat> (63)
S2704

>  <Name> (63)
LY2109761

>  <Synonyms> (63)
N/A

>  <Target> (63)
TGF-beta/Smad

>  <Form> (63)
Free Base

>  <CAS> (63)
700874-71-1 

>  <URL> (63)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (64)
1988

>  <Formula> (64)
C23H17FN6O

>  <MolWeight> (64)
412.4190832

>  <Cat> (64)
S2788

>  <Name> (64)
Capmatinib (INCB28060)

>  <Synonyms> (64)
N/A

>  <Target> (64)
c-Met 

>  <Form> (64)
Free Base

>  <CAS> (64)
1029712-80-8

>  <URL> (64)
http://www.selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/12292111062D

 44 38  0  0  0  0  0  0  0  0999 V2000
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Plerixafor 8HCl (DB06809)

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AMD3100 

>  <Target> (65)
CXCR

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Octahydrochloride 

>  <CAS> (65)
155148-31-5

>  <URL> (65)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
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>  <Mol_ID> (66)
1991

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C17H12N4

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LY364947

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N/A

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TGF-beta/Smad

>  <Form> (66)
Free Base

>  <CAS> (66)
396129-53-6

>  <URL> (66)
http://www.selleckchem.com/products/ly364947.html

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>  <Mol_ID> (67)
2001

>  <Formula> (67)
C18H17ClN2O3S

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>  <Cat> (67)
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KY02111

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N/A

>  <Target> (67)
Wnt/beta-catenin

>  <Form> (67)
Free Base

>  <CAS> (67)
1118807-13-8

>  <URL> (67)
https://www.selleckchem.com/products/ky02111.html

$$$$
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>  <Form> (68)
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>  <CAS> (68)
304909-07-7

>  <URL> (68)
http://www.selleckchem.com/products/sant-1.html

$$$$
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M  END
>  <Mol_ID> (69)
2033

>  <Formula> (69)
C16H14N4O2S

>  <MolWeight> (69)
326.37296

>  <Cat> (69)
S7195

>  <Name> (69)
RKI-1447

>  <Synonyms> (69)
N/A

>  <Target> (69)
ROCK

>  <Form> (69)
Free Base

>  <CAS> (69)
1342278-01-6

>  <URL> (69)
http://www.selleckchem.com/products/rki-1447.html

$$$$
Sodium valproate.cdx
csChFnd80/12292111062D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
2253

>  <Formula> (70)
C8H15NaO2

>  <MolWeight> (70)
166.19327

>  <Cat> (70)
S1168

>  <Name> (70)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (70)
N/A 

>  <Target> (70)
GABA Receptor, HDAC

>  <CAS> (70)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (70)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/12292111062D

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    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (71)
2274

>  <Formula> (71)
C21H18O12

>  <MolWeight> (71)
462.36042

>  <Cat> (71)
S3810

>  <Name> (71)
Scutellarin

>  <Synonyms> (71)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
27740-01-8

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

$$$$
Plerixafor.cdx
csChFnd80/12292111062D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
2322

>  <Formula> (72)
C28H54N8

>  <MolWeight> (72)
502.78196

>  <Cat> (72)
S8030

>  <Name> (72)
Plerixafor

>  <Synonyms> (72)
N/A

>  <Target> (72)
CXCR

>  <Form> (72)
Free Base

>  <CAS> (72)
110078-46-1

>  <URL> (72)
http://www.selleckchem.com/products/plerixafor.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/12292111062D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
2334

>  <Formula> (73)
C26H21N3O3

>  <MolWeight> (73)
423.46324

>  <Cat> (73)
S7086

>  <Name> (73)
IWR-1-endo

>  <Synonyms> (73)
IWR-1

>  <Target> (73)
Wnt/beta-catenin

>  <Form> (73)
Free Base

>  <CAS> (73)
1127442-82-3

>  <URL> (73)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/12292111062D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    6.1770    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    1.4000    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
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M  END
>  <Mol_ID> (74)
2340

>  <Formula> (74)
C8H5NO4S

>  <MolWeight> (74)
211.1946

>  <Cat> (74)
S7024

>  <Name> (74)
Stattic

>  <Synonyms> (74)
N/A

>  <Target> (74)
STAT

>  <Form> (74)
Free Base

>  <CAS> (74)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/12292111062D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    3.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1978    3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  1  0  0  0
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 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (75)
2352

>  <Formula> (75)
C9H12N2O5

>  <MolWeight> (75)
228.20198

>  <Cat> (75)
S7113

>  <Name> (75)
Zebularine

>  <Synonyms> (75)
N/A

>  <Target> (75)
DNA Methyltransferase

>  <Form> (75)
Free Base

>  <CAS> (75)
654065

>  <URL> (75)
https://www.selleckchem.com/products/zebularine.html

$$$$
Sodium butyrate.cdx
csChFnd80/12292111062D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    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
  2  3  1  0  0  0  0
  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> (76)
2411

>  <Formula> (76)
C4H7NaO2

>  <MolWeight> (76)
110.08695

>  <Cat> (76)
S1999

>  <Name> (76)
Sodium butyrate

>  <Synonyms> (76)
Butyric acid sodium salt

>  <Target> (76)
HDAC

>  <Form> (76)
Sodium Salt

>  <CAS> (76)
156-54-7

>  <URL> (76)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Itraconazole.cdx
csChFnd80/12292111062D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.6764    2.1146    0.0000 Cl  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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 10 11  1  0  0  0  0
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 13  7  1  0  0  0  0
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 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
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 36 45  1  0  0  0  0
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 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (77)
2423

>  <Formula> (77)
C35H38Cl2N8O4

>  <MolWeight> (77)
705.63342

>  <Cat> (77)
S2476

>  <Name> (77)
Itraconazole (Sporanox)

>  <Synonyms> (77)
Sporanox

>  <Target> (77)
P450 (e.g. CYP17)

>  <Form> (77)
Free Base

>  <CAS> (77)
84625-61-6

>  <URL> (77)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

$$$$
3.cdx
csChFnd80/12292111062D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    2.1544    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7447    4.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5447    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (78)
2437

>  <Formula> (78)
C26H24F4N6O

>  <MolWeight> (78)
512.5019728

>  <Cat> (78)
S2157

>  <Name> (78)
Taladegib (LY2940680)

>  <Synonyms> (78)
N/A

>  <Target> (78)
Hedgehog, Smoothened

>  <Form> (78)
Free Base

>  <CAS> (78)
1258861-20-9

>  <URL> (78)
http://www.selleckchem.com/products/ly2940680.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/12292111062D

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2485

>  <Formula> (79)
C22H28FNa2O8P

>  <MolWeight> (79)
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>  <Cat> (79)
S4028

>  <Name> (79)
Dexamethasone Sodium Phosphate

>  <Synonyms> (79)
N/A

>  <Target> (79)
IL Receptor

>  <Form> (79)
Disodium salt

>  <CAS> (79)
55203-24-2

>  <URL> (79)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (80)
2503

>  <Formula> (80)
C28H29Cl2N3OS

>  <MolWeight> (80)
526.52036

>  <Cat> (80)
S7779

>  <Name> (80)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (80)
N/A

>  <Target> (80)
Hedgehog/Smoothened

>  <Form> (80)
Hydrochloride

>  <CAS> (80)
912545-86-9

>  <URL> (80)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (81)
2509

>  <Formula> (81)
C28H32O6

>  <MolWeight> (81)
464.55008

>  <Cat> (81)
S7259

>  <Name> (81)
FLLL32

>  <Synonyms> (81)
N/A

>  <Target> (81)
JAK

>  <Form> (81)
Free Base

>  <CAS> (81)
1226895-15-3

>  <URL> (81)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12292111062D

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>  <Mol_ID> (82)
2516

>  <Formula> (82)
C11H10N2O2S

>  <MolWeight> (82)
234.2743

>  <Cat> (82)
S7914

>  <Name> (82)
Isoxazole 9 (ISX-9)

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
Free Base

>  <CAS> (82)
832115-62-5

>  <URL> (82)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
P7C3.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (83)
2534

>  <Formula> (83)
C21H18Br2N2O

>  <MolWeight> (83)
474.18842

>  <Cat> (83)
S7968

>  <Name> (83)
P7C3

>  <Synonyms> (83)
N/A

>  <Target> (83)
NAMPT

>  <Form> (83)
Free Base

>  <CAS> (83)
301353-96-8

>  <URL> (83)
http://www.selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (84)
2537

>  <Formula> (84)
C18H12BrN3O3

>  <MolWeight> (84)
398.21018

>  <Cat> (84)
S7915

>  <Name> (84)
BIO-acetoxime

>  <Synonyms> (84)
N/A

>  <Target> (84)
GSK-3

>  <Form> (84)
Free Base

>  <CAS> (84)
667463-85-6

>  <URL> (84)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (85)
2552

>  <Formula> (85)
C8H16O2

>  <MolWeight> (85)
144.21144

>  <Cat> (85)
S3944

>  <Name> (85)
Valproic acid

>  <Synonyms> (85)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (85)
HDAC1

>  <Form> (85)
free base

>  <CAS> (85)
99-66-1

>  <URL> (85)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
purmorphamine.cdx
csChFnd80/12292111062D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
2600

>  <Formula> (86)
C31H32N6O2

>  <MolWeight> (86)
520.62478

>  <Cat> (86)
S3042

>  <Name> (86)
Purmorphamine

>  <Synonyms> (86)
N/A

>  <Target> (86)
Hedgehog/Smoothened

>  <Form> (86)
Free Base

>  <CAS> (86)
483367-10-8

>  <URL> (86)
http://www.selleckchem.com/products/purmorphamine.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12292111062D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
2608

>  <Formula> (87)
C16H10BrN3O2

>  <MolWeight> (87)
356.1735

>  <Cat> (87)
S7198

>  <Name> (87)
BIO

>  <Synonyms> (87)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (87)
GSK-3

>  <Form> (87)
Free Base

>  <CAS> (87)
667463-62-9

>  <URL> (87)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12292111062D

 22 25  0  0  0  0  0  0  0  0999 V2000
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2612

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C17H13N5

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RepSox

>  <Synonyms> (88)
E-616452, SJN 2511

>  <Target> (88)
TGF-beta/Smad

>  <Form> (88)
Free Base

>  <CAS> (88)
446859-33-2

>  <URL> (88)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (89)
2615

>  <Formula> (89)
C21H23N7O3S

>  <MolWeight> (89)
453.51742

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S7253

>  <Name> (89)
AZD2858

>  <Synonyms> (89)
N/A

>  <Target> (89)
GSK-3

>  <Form> (89)
Free Base

>  <CAS> (89)
486424-20-8

>  <URL> (89)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (90)
2617

>  <Formula> (90)
C23H26ClNO

>  <MolWeight> (90)
367.91164

>  <Cat> (90)
S8004

>  <Name> (90)
ZM 39923 HCl

>  <Synonyms> (90)
N/A

>  <Target> (90)
JAK

>  <Form> (90)
HCl

>  <CAS> (90)
1021868-92-7

>  <URL> (90)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12292111062D

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>  <Mol_ID> (91)
2633

>  <Formula> (91)
C24H27Cl2N5O

>  <MolWeight> (91)
472.41008

>  <Cat> (91)
S7306

>  <Name> (91)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (91)
BML-275,Compound C

>  <Target> (91)
AMPK

>  <Form> (91)
Dihydrochloride

>  <CAS> (91)
1219168-18-9

>  <URL> (91)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/12292111062D

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hydrochloride 

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130-61-0

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1059734-66-5

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JAK

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945755-56-6

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STAT

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1172133-28-6

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>  <Target> (111)
STAT

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Free Base

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1456632-40-8

>  <URL> (111)
http://www.selleckchem.com/products/sh-4-54.html

$$$$
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1129669-05-1

>  <URL> (112)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/12292111062D

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>  <Target> (113)
JAK

>  <Form> (113)
Free Base

>  <CAS> (113)
1206161-97-8

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

$$$$
EW-7197.cdx
csChFnd80/12292111062D

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TGF-beta/Smad

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1352608-82-2

>  <URL> (114)
http://www.selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/12292111062D

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C20H15NO3

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317.338

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Kartogenin

>  <Synonyms> (115)
N/A

>  <Target> (115)
TGF-beta/Smad

>  <Form> (115)
Free Base

>  <CAS> (115)
4727-31-5

>  <URL> (115)
http://www.selleckchem.com/products/kartogenin.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/12292111062D

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>  <Mol_ID> (116)
2910

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C20H28ClN7O3S

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S7634

>  <Name> (116)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (116)
N/A

>  <Target> (116)
JAK

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Hydrochloride

>  <CAS> (116)
1369761-01-2

>  <URL> (116)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Reversine.cdx
csChFnd80/12292111062D

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C21H27N7O

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>  <Name> (117)
Reversine

>  <Synonyms> (117)
N/A

>  <Target> (117)
Adenosine Receptor

>  <Form> (117)
Free Base

>  <CAS> (117)
656820-32-5

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

$$$$
AT13148.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (123)
3011

>  <Formula> (123)
C25H29N3O3

>  <MolWeight> (123)
419.51606

>  <Cat> (123)
S7627

>  <Name> (123)
LDN-214117

>  <Synonyms> (123)
N/A

>  <Target> (123)
TGF-beta/Smad

>  <Form> (123)
Free Base

>  <CAS> (123)
1627503-67-6

>  <URL> (123)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Dorsomorphin.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (124)
3040

>  <Formula> (124)
C24H25N5O

>  <MolWeight> (124)
399.4882

>  <Cat> (124)
S7840

>  <Name> (124)
Dorsomorphin (Compound C)

>  <Synonyms> (124)
Compound C, BML-275

>  <Target> (124)
AMPK

>  <Form> (124)
Free Base

>  <CAS> (124)
866405-64-3

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (125)
3048

>  <Formula> (125)
C14H8O4

>  <MolWeight> (125)
240.21092

>  <Cat> (125)
S7977

>  <Name> (125)
Napabucasin

>  <Synonyms> (125)
N/A

>  <Target> (125)
STAT

>  <Form> (125)
Free Base

>  <CAS> (125)
83280-65-3

>  <URL> (125)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
ASP015K.cdx
csChFnd80/12292111062D

 24 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (126)
3054

>  <Formula> (126)
C18H22N4O2

>  <MolWeight> (126)
326.39288

>  <Cat> (126)
S7650

>  <Name> (126)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (126)
N/A

>  <Target> (126)
JAK

>  <Form> (126)
Free Base

>  <CAS> (126)
944118-01-8

>  <URL> (126)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (127)
3074

>  <Formula> (127)
C21H20N2OS3

>  <MolWeight> (127)
412.5913

>  <Cat> (127)
S7900

>  <Name> (127)
SW033291

>  <Synonyms> (127)
N/A

>  <Target> (127)
Dehydrogenase

>  <Form> (127)
Free Base

>  <CAS> (127)
459147-39-8

>  <URL> (127)
http://www.selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (128)
3078

>  <Formula> (128)
C18H19F3N6O

>  <MolWeight> (128)
392.3782696

>  <Cat> (128)
S7541

>  <Name> (128)
Decernotinib (VX-509)

>  <Synonyms> (128)
N/A

>  <Target> (128)
JAK

>  <Form> (128)
Free Base

>  <CAS> (128)
944842-54-0

>  <URL> (128)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (129)
3090

>  <Formula> (129)
C15H23ClFN3O4S

>  <MolWeight> (129)
395.8772232

>  <Cat> (129)
S7995

>  <Name> (129)
Ripasudil (K-115)

>  <Synonyms> (129)
N/A

>  <Target> (129)
ROCK

>  <Form> (129)
Hydrochloride dihydrate

>  <CAS> (129)
887375-67-9

>  <URL> (129)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12292111062D

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>  <Mol_ID> (130)
3101

>  <Formula> (130)
C26H24N6O2

>  <MolWeight> (130)
452.50776

>  <Cat> (130)
S7936

>  <Name> (130)
KD025 (SLx-2119)

>  <Synonyms> (130)
N/A

>  <Target> (130)
ROCK

>  <Form> (130)
Free Base

>  <CAS> (130)
911417-87-3

>  <URL> (130)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (131)
3107

>  <Formula> (131)
C19H14O4

>  <MolWeight> (131)
306.31206

>  <Cat> (131)
S7951

>  <Name> (131)
STA-21

>  <Synonyms> (131)
N/A

>  <Target> (131)
STAT

>  <Form> (131)
Free Base

>  <CAS> (131)
111540-00-2

>  <URL> (131)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (132)
3119

>  <Formula> (132)
C19H19ClN4O3

>  <MolWeight> (132)
386.83216

>  <Cat> (132)
S8178

>  <Name> (132)
Wnt agonist 1

>  <Synonyms> (132)
N/A

>  <Target> (132)
Wnt/beta-catenin

>  <Form> (132)
Hydrochloride

>  <CAS> (132)
853220-52-7(free-base)

>  <URL> (132)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/12292111062D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
3129

>  <Formula> (133)
C19H27N5O6S

>  <MolWeight> (133)
453.51258

>  <Cat> (133)
S8195

>  <Name> (133)
Oclacitinib maleate

>  <Synonyms> (133)
PF-03394197

>  <Target> (133)
JAK

>  <Form> (133)
Free Base

>  <CAS> (133)
1640292-55-2

>  <URL> (133)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
AS1842856.cdx
csChFnd80/12292111062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
3139

>  <Formula> (134)
C18H22FN3O3

>  <MolWeight> (134)
347.3839832

>  <Cat> (134)
S8222

>  <Name> (134)
AS1842856

>  <Synonyms> (134)
N/A

>  <Target> (134)
Others

>  <Form> (134)
Free Base

>  <CAS> (134)
836620-48-5

>  <URL> (134)
http://www.selleckchem.com/products/as1842856.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/12292111062D

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>  <Mol_ID> (135)
3153

>  <Formula> (135)
C27H25F3N8O2

>  <MolWeight> (135)
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>  <Cat> (135)
S7752

>  <Name> (135)
Pluripotin (SC1)

>  <Synonyms> (135)
N/A

>  <Target> (135)
ERK

>  <Form> (135)
Free Base

>  <CAS> (135)
839707-37-8

>  <URL> (135)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
IMR-1.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (136)
3201

>  <Formula> (136)
C15H15NO5S2

>  <MolWeight> (136)
353.4133

>  <Cat> (136)
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IMR-1

>  <Synonyms> (136)
N/A

>  <Target> (136)
Gamma-secretase

>  <Form> (136)
Free Base

>  <CAS> (136)
310456-65-6

>  <URL> (136)
http://www.selleckchem.com/products/imr-1.html

$$$$
IQ-1.cdx
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>  <Mol_ID> (137)
3202

>  <Formula> (137)
C21H22N4O2

>  <MolWeight> (137)
362.42498

>  <Cat> (137)
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>  <Name> (137)
IQ-1

>  <Synonyms> (137)
N/A

>  <Target> (137)
Wnt/beta-catenin

>  <Form> (137)
Free Base

>  <CAS> (137)
331001-62-8

>  <URL> (137)
http://www.selleckchem.com/products/iq-1.html

$$$$
SIS3.cdx
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>  <Mol_ID> (138)
3236

>  <Formula> (138)
C28H28ClN3O3

>  <MolWeight> (138)
489.99322

>  <Cat> (138)
S7959

>  <Name> (138)
SIS3 HCl

>  <Synonyms> (138)
N/A

>  <Target> (138)
TGF-beta/Smad

>  <Form> (138)
hydrochloride

>  <CAS> (138)
521984-48-5

>  <URL> (138)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
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>  <Mol_ID> (139)
3237

>  <Formula> (139)
C24H24F5N5O

>  <MolWeight> (139)
493.472276

>  <Cat> (139)
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>  <Name> (139)
MK-4101

>  <Synonyms> (139)
N/A

>  <Target> (139)
Hedgehog/Smoothened

>  <Form> (139)
Free Base

>  <CAS> (139)
935273-79-3

>  <URL> (139)
http://www.selleckchem.com/products/mk-4101.html

$$$$
KYA1797K.cdx
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M  END
>  <Mol_ID> (140)
3247

>  <Formula> (140)
C17H11KN2O6S2

>  <MolWeight> (140)
442.50734

>  <Cat> (140)
S8327

>  <Name> (140)
KYA1797K

>  <Synonyms> (140)
N/A

>  <Target> (140)
Wnt/beta-catenin

>  <Form> (140)
potassium salt

>  <CAS> (140)
1956356-56-1

>  <URL> (140)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BMS-911543.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (141)
3260

>  <Formula> (141)
C23H28N8O

>  <MolWeight> (141)
432.52142

>  <Cat> (141)
S7144

>  <Name> (141)
BMS-911543

>  <Synonyms> (141)
N/A

>  <Target> (141)
JAK

>  <Form> (141)
Free Base

>  <CAS> (141)
1271022-90-2

>  <URL> (141)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (142)
3275

>  <Formula> (142)
C15H20O2

>  <MolWeight> (142)
232.3181

>  <Cat> (142)
S8318

>  <Name> (142)
Alantolactone

>  <Synonyms> (142)
helenin, helenine, Eupatal

>  <Target> (142)
Others

>  <Form> (142)
Free Base

>  <CAS> (142)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (143)
3277

>  <Formula> (143)
C14H14N4O3

>  <MolWeight> (143)
286.28596

>  <Cat> (143)
S8320

>  <Name> (143)
SKL2001

>  <Synonyms> (143)
N/A

>  <Target> (143)
Wnt/beta-catenin

>  <Form> (143)
Free Base

>  <CAS> (143)
909089-13-0

>  <URL> (143)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (144)
3287

>  <Formula> (144)
C29H31ClN8O5

>  <MolWeight> (144)
607.06004

>  <Cat> (144)
S7687

>  <Name> (144)
GSK269962 HCl

>  <Synonyms> (144)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (144)
ROCK

>  <Form> (144)
hydrochloride

>  <CAS> (144)
850664-21-0(free base)

>  <URL> (144)
http://www.selleckchem.com/products/gsk269962.html

$$$$
XMU-MP-1.cdx
csChFnd80/12292111062D

 28 31  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
  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 11  1  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
  2 15  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 15  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28  9  1  0  0  0  0
M  END
>  <Mol_ID> (145)
3313

>  <Formula> (145)
C17H16N6O3S2

>  <MolWeight> (145)
416.47734

>  <Cat> (145)
S8334

>  <Name> (145)
XMU-MP-1

>  <Synonyms> (145)
N/A

>  <Target> (145)
Hippo pathway

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12292111062D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    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
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  8  9  2  0  0  0  0
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  4 10  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (146)
3314

>  <Formula> (146)
C16H18Cl2N4O

>  <MolWeight> (146)
353.24632

>  <Cat> (146)
S7935

>  <Name> (146)
Y-39983 HCl

>  <Synonyms> (146)
Y-33075 HCl

>  <Target> (146)
ROCK

>  <Form> (146)
dihydrochloride

>  <CAS> (146)
173897-44-4

>  <URL> (146)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12292111062D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (147)
3318

>  <Formula> (147)
C21H20N2O3S

>  <MolWeight> (147)
380.4601

>  <Cat> (147)
S8448

>  <Name> (147)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (147)
N/A

>  <Target> (147)
ROCK

>  <Form> (147)
Free Base

>  <CAS> (147)
557782-81-7

>  <URL> (147)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
LY3039478.cdx
csChFnd80/12292111062D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
3328

>  <Formula> (148)
C22H23F3N4O4

>  <MolWeight> (148)
464.4376296

>  <Cat> (148)
S7169

>  <Name> (148)
LY3039478

>  <Synonyms> (148)
N/A

>  <Target> (148)
Gamma-secretase

>  <Form> (148)
Free Base

>  <CAS> (148)
1421438-81-4

>  <URL> (148)
http://www.selleckchem.com/products/ly3039478.html

$$$$
BP-1-102.cdx
csChFnd80/12292111062D

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xH2O
M  END
>  <Mol_ID> (153)
3370

>  <Formula> (153)
C14H18ClN3O3RS

>  <MolWeight> (153)
343.82902

>  <Cat> (153)
S8208

>  <Name> (153)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (153)
N/A

>  <Target> (153)
ROCK

>  <Form> (153)
hydrochloride

>  <CAS> (153)
155558-32-0 (HCl salt)

>  <URL> (153)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
LF3.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (154)
3384

>  <Formula> (154)
C20H24N4O2S2

>  <MolWeight> (154)
416.56016

>  <Cat> (154)
S8474

>  <Name> (154)
LF3

>  <Synonyms> (154)
N/A

>  <Target> (154)
Wnt/beta-catenin

>  <Form> (154)
Free Base

>  <CAS> (154)
664969-54-4

>  <URL> (154)
http://www.selleckchem.com/products/lf3.html

$$$$
HJC0152.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (155)
3444

>  <Formula> (155)
C15H14Cl3N3O4

>  <MolWeight> (155)
406.64836

>  <Cat> (155)
S8561

>  <Name> (155)
HJC0152

>  <Synonyms> (155)
N/A

>  <Target> (155)
STAT3

>  <Form> (155)
hydrochloride

>  <CAS> (155)
1420290-99-8

>  <URL> (155)
http://www.selleckchem.com/products/hjc0152.html

$$$$
iCRT3.cdx
csChFnd80/12292111062D

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>  <Mol_ID> (156)
3500

>  <Formula> (156)
C23H26N2O2S

>  <MolWeight> (156)
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>  <Cat> (156)
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>  <Name> (156)
iCRT3

>  <Synonyms> (156)
N/A

>  <Target> (156)
Wnt/¦Â-catenin

>  <Form> (156)
free base

>  <CAS> (156)
901751-47-1

>  <URL> (156)
http://www.selleckchem.com/products/icrt3.html

$$$$
C188-9.cdx
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 33 29  1  0  0  0  0
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M  END
>  <Mol_ID> (157)
3501

>  <Formula> (157)
C27H21NO5S

>  <MolWeight> (157)
471.52434

>  <Cat> (157)
S8605

>  <Name> (157)
C188-9

>  <Synonyms> (157)
N/A

>  <Target> (157)
STAT3

>  <Form> (157)
free base

>  <CAS> (157)
432001-19-9

>  <URL> (157)
http://www.selleckchem.com/products/c188-9.html

$$$$
CA3.cdx
csChFnd80/12292111062D

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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  8 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 17  2  0  0  0  0
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 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (158)
3525

>  <Formula> (158)
C23H27N3O5S2

>  <MolWeight> (158)
489.60758

>  <Cat> (158)
S8661

>  <Name> (158)
CA3

>  <Synonyms> (158)
N/A

>  <Target> (158)
YAP/TEAD interaction

>  <Form> (158)
free base

>  <CAS> (158)
300802-28-2

>  <URL> (158)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12292111062D

 20 17  0  0  0  0  0  0  0  0999 V2000
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    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  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
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  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
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 10 14  1  0  0  0  0
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 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (159)
3553

>  <Formula> (159)
C6H6Na3O9P

>  <MolWeight> (159)
322.049511

>  <Cat> (159)
S5115

>  <Name> (159)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (159)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (159)
Others

>  <Form> (159)
sodium salt

>  <CAS> (159)
66170-10-3

>  <URL> (159)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/12292111062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
3556

>  <Formula> (160)
C15H19N5O

>  <MolWeight> (160)
285.34426

>  <Cat> (160)
S8538

>  <Name> (160)
PF-06651600

>  <Synonyms> (160)
N/A

>  <Target> (160)
JAK3 

>  <Form> (160)
free base

>  <CAS> (160)
1792180-81-4

>  <URL> (160)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/12292111062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (161)
3582

>  <Formula> (161)
C15H10O5

>  <MolWeight> (161)
270.2369

>  <Cat> (161)
S8696

>  <Name> (161)
2-D08
2-D08

>  <Synonyms> (161)
2',3',4'-trihydroxy flavone

>  <Target> (161)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (161)
free base

>  <CAS> (161)
144707-18-6

>  <URL> (161)
http://selleckchem.com/products/2-d08.html

$$$$
AS1517499.cdx
csChFnd80/12292111062D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
3659

>  <Formula> (162)
C20H20ClN5O2

>  <MolWeight> (162)
397.8581

>  <Cat> (162)
S8685

>  <Name> (162)
AS1517499

>  <Synonyms> (162)
N/A

>  <Target> (162)
STAT

>  <Form> (162)
free base

>  <CAS> (162)
919486-40-1

>  <URL> (162)
http://selleckchem.com/products/as1517499.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/12292111062D

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M  END
>  <Mol_ID> (163)
3818

>  <Formula> (163)
C3H8NO6P

>  <MolWeight> (163)
185.072481

>  <Cat> (163)
S5137

>  <Name> (163)
O-Phospho-L-serine

>  <Synonyms> (163)
Dexfosfoserine

>  <Target> (163)
GluR

>  <Form> (163)
free base

>  <CAS> (163)
407-41-0

>  <URL> (163)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/12292111062D

 10 11  0  0  0  0  0  0  0  0999 V2000
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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
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (164)
3880

>  <Formula> (164)
C8H6BrN

>  <MolWeight> (164)
196.04394

>  <Cat> (164)
S5439

>  <Name> (164)
5-Bromoindole

>  <Synonyms> (164)
N/A

>  <Target> (164)
GSK-3

>  <Form> (164)
free base

>  <CAS> (164)
10075-50-0

>  <URL> (164)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/12292111062D

 72 80  0  0  0  0  0  0  0  0999 V2000
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   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
3938

>  <Formula> (165)
C49H76O20

>  <MolWeight> (165)
985.11574

>  <Cat> (165)
S5554

>  <Name> (165)
Lanatoside C

>  <Synonyms> (165)
N/A

>  <Target> (165)
ATPase

>  <Form> (165)
free base

>  <CAS> (165)
17575-22-3

>  <URL> (165)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/12292111062D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (166)
3960

>  <Formula> (166)
C4H9N3O2

>  <MolWeight> (166)
131.13316

>  <Cat> (166)
S5588

>  <Name> (166)
Creatine

>  <Synonyms> (166)
Methylguanidoacetic acid

>  <Target> (166)
Others

>  <Form> (166)
free base

>  <CAS> (166)
57-00-1

>  <URL> (166)
http://selleckchem.com/products/creatine.html

$$$$
S9416 Triptonide.cdx
csChFnd80/12292111062D

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    3.4990    4.5003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7027    3.7957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7112    5.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9057    1.6898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7044    2.3816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7061    0.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
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 16  1  1  0  0  0  0
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 20 23  1  0  0  0  0
  1 15  2  0  0  0  0
 17 16  1  0  0  0  0
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  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  7  5  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 19 21  1  6  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
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 20  3  1  0  0  0  0
 22  2  1  0  0  0  0
  2  4  1  0  0  0  0
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 25 26  1  0  0  0  0
 10 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (167)
4113

>  <Formula> (167)
C20H22O6

>  <MolWeight> (167)
358.38508

>  <Cat> (167)
S9416

>  <Name> (167)
Triptonide

>  <Form> (167)
free base

>  <CAS> (167)
38647-11-9

$$$$

csChFnd80/12292111062D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    3.6525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  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
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
4146

>  <Formula> (168)
C10H14N4O2

>  <MolWeight> (168)
222.24376

>  <Cat> (168)
S5836

>  <Name> (168)
IBMX

>  <Synonyms> (168)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (168)
PDE

>  <Form> (168)
Free Base

>  <CAS> (168)
28822-58-4

>  <URL> (168)
http://www.selleckchem.com/products/ibmx.html

$$$$

csChFnd80/12292111062D

 12 12  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  1  0  0  0  0
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  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (169)
4173

>  <Formula> (169)
C6H6Br6

>  <MolWeight> (169)
557.53584

>  <Cat> (169)
S5902

>  <Name> (169)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (169)
NSC7908

>  <Target> (169)
JAK

>  <Form> (169)
Free Base

>  <CAS> (169)
1837-91-8

>  <URL> (169)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/12292111062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    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
  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
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 10 15  1  0  0  0  0
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 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (170)
4174

>  <Formula> (170)
C16H15N3O3

>  <MolWeight> (170)
297.3086

>  <Cat> (170)
S5903

>  <Name> (170)
JANEX-1

>  <Synonyms> (170)
WHI-P131

>  <Target> (170)
JAK

>  <Form> (170)
Free Base

>  <CAS> (170)
202475-60-3

>  <URL> (170)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/12292111062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
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  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (171)
4175

>  <Formula> (171)
C16H13Br2N3O3

>  <MolWeight> (171)
455.10072

>  <Cat> (171)
S5904

>  <Name> (171)
WHI-P97

>  <Synonyms> (171)
N/A

>  <Target> (171)
JAK

>  <Form> (171)
Free Base

>  <CAS> (171)
211555-05-4

>  <URL> (171)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/12292111062D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    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
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  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
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  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
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 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  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
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (172)
4186

>  <Formula> (172)
C22H23N5O2

>  <MolWeight> (172)
389.45032

>  <Cat> (172)
S5917

>  <Name> (172)
Solcitinib

>  <Synonyms> (172)
GLPG0778, GSK2586184

>  <Target> (172)
JAK

>  <Form> (172)
Free Base

>  <CAS> (172)
1206163-45-2

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

$$$$

csChFnd80/12292111062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2464    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3047    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    0.0000    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
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  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  2  0  0  0  0
 10 14  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
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (173)
4188

>  <Formula> (173)
C18H22ClN5S

>  <MolWeight> (173)
375.91878

>  <Cat> (173)
S5919

>  <Name> (173)
KHS101 hydrochloride

>  <Synonyms> (173)
N/A

>  <Target> (173)
Microtubule Associat

>  <Form> (173)
hydrochloride

>  <CAS> (173)
1784282-12-7

>  <URL> (173)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/12292111062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9368    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    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
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 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 10  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 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (174)
4218

>  <Formula> (174)
C14H11ClN4S2

>  <MolWeight> (174)
334.84694

>  <Cat> (174)
S8700

>  <Name> (174)
TP0427736 HCl

>  <Synonyms> (174)
N/A

>  <Target> (174)
ALK

>  <Form> (174)
hydrochloride

>  <CAS> (174)
864374-00-5

>  <URL> (174)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12292111062D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   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
    3.6373    4.9000    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
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1414    6.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    9.4512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9659    9.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8851    7.6492    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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  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  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 13  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 21 17  1  0  0  0  0
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 25 21  1  0  0  0  0
 24 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
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 37  1  0  0  0  0
 33 38  2  0  0  0  0
M  END
>  <Mol_ID> (175)
4236

>  <Formula> (175)
C29H24FN7O

>  <MolWeight> (175)
505.5455632

>  <Cat> (175)
S8761

>  <Name> (175)
Adavivint (SM04690)

>  <Synonyms> (175)
N/A

>  <Target> (175)
Wnt/beta-catenin

>  <Form> (175)
Free Base

>  <CAS> (175)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/12292111062D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   10.3382    1.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8903    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6971    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5466    5.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    2.8654    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
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  3 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 18  2  0  0  0  0
 13 16  1  0  0  0  0
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 17 21  1  0  0  0  0
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 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (176)
4246

>  <Formula> (176)
C29H39NO9

>  <MolWeight> (176)
545.62126

>  <Cat> (176)
S9015

>  <Name> (176)
Homoharringtonine

>  <CAS> (176)
26833-87-4

$$$$

csChFnd80/12292111062D

 29 31  0  0  0  0  0  0  0  0999 V2000
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1898283-02-7

>  <URL> (178)
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (181)
5204

>  <Formula> (181)
C13H8Cl2N2O4

>  <MolWeight> (181)
327.11962

>  <Cat> (181)
S3030

>  <Name> (181)
Niclosamide

>  <Synonyms> (181)
Niclocide

>  <Target> (181)
STAT

>  <Form> (181)
Free Base

>  <CAS> (181)
50-65-7

>  <URL> (181)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/12292111062D

 26 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
  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
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 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 19  1  0  0  0  0
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 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 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
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (182)
5310

>  <Formula> (182)
C19H18N4O3

>  <MolWeight> (182)
350.37122

>  <Cat> (182)
S8684

>  <Name> (182)
Selective JAK3 inhibitor 1

>  <Synonyms> (182)
N/A

>  <Target> (182)
JAK

>  <Form> (182)
Free Base

>  <CAS> (182)
1443235-95-7

>  <URL> (182)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12292111062D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    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
  6  7  1  0  0  0  0
  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (183)
6572

>  <Formula> (183)
C14H14ClFN8

>  <MolWeight> (183)
348.7659632

>  <Cat> (183)
S2162

>  <Name> (183)
AZD1480

>  <Synonyms> (183)
N/A

>  <Target> (183)
JAK

>  <Form> (183)
free base

>  <CAS> (183)
935666-88-9

>  <URL> (183)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12292111062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    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
  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
 11 14  1  0  0  0  0
  2  8  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
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (184)
6589

>  <Formula> (184)
C16H13ClN4

>  <MolWeight> (184)
296.75422

>  <Cat> (184)
S6499

>  <Name> (184)
PF-6260933

>  <Synonyms> (184)
N/A

>  <Target> (184)
Serine/threonin kina

>  <Form> (184)
free base

>  <CAS> (184)
1811510-56-1

>  <URL> (184)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12292111062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    0.0000    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
  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  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (185)
6606

>  <Formula> (185)
C16H15N3O2

>  <MolWeight> (185)
281.3092

>  <Cat> (185)
S6521

>  <Name> (185)
WHI-P258

>  <Synonyms> (185)
N/A

>  <Target> (185)
JAK

>  <Form> (185)
free base

>  <CAS> (185)
21561-09-1

>  <URL> (185)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/12292111062D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6552    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    4.8497    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
  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
  8  9  1  0  0  0  0
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 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
  7  8  1  0  0  0  0
  2  6  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 18  2  0  0  0  0
 18 19  1  0  0  0  0
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  4 14  1  0  0  0  0
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  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (186)
6609

>  <Formula> (186)
C23H24N2O

>  <MolWeight> (186)
344.44946

>  <Cat> (186)
S6524

>  <Name> (186)
NSC 42834

>  <Synonyms> (186)
JAK2 Inhibitor V

>  <Target> (186)
JAK

>  <Form> (186)
free base

>  <CAS> (186)
195371-52-9

>  <URL> (186)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/12292111062D

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M  END
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6629

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C19H18N4OS

>  <MolWeight> (187)
350.43742

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S6565

>  <Name> (187)
JK184

>  <Synonyms> (187)
N/A

>  <Target> (187)
Hedgehog/Smoothened

>  <Form> (187)
free base

>  <CAS> (187)
315703-52-7

>  <URL> (187)
http://www.selleck.cn/products/jk184.html

$$$$

csChFnd80/12292111062D

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6656

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C21H17N3O2S

>  <MolWeight> (188)
375.44358

>  <Cat> (188)
S8704

>  <Name> (188)
iCRT14

>  <Synonyms> (188)
N/A

>  <Target> (188)
Wnt/beta-catenin

>  <Form> (188)
free base

>  <CAS> (188)
677331-12-3

>  <URL> (188)
http://www.selleck.cn/products/icrt14.html

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6694

>  <Formula> (189)
C15H11BrN2S

>  <MolWeight> (189)
331.23024

>  <Cat> (189)
S6579

>  <Name> (189)
RCGD423

>  <Synonyms> (189)
N/A

>  <Target> (189)
P-gp

>  <Form> (189)
Free Base

>  <CAS> (189)
108237-91-8

>  <URL> (189)
http://www.selleck.cn/products/rcgd423.html

$$$$

csChFnd80/12292111062D

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6720

>  <Formula> (190)
C18H13ClF2N6O

>  <MolWeight> (190)
402.7852264

>  <Cat> (190)
S6636

>  <Name> (190)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (190)
N/A

>  <Target> (190)
ROCK

>  <Form> (190)
Free Base

>  <CAS> (190)
867017-68-3

>  <URL> (190)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/12292111062D

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    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
  1 17  2  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 15  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (195)
6818

>  <Formula> (195)
C20H31N3O

>  <MolWeight> (195)
329.47964

>  <Cat> (195)
S6654

>  <Name> (195)
SRI-011381

>  <Synonyms> (195)
N/A

>  <Target> (195)
TGF-beta/Smad

>  <Form> (195)
Free Base

>  <CAS> (195)
1629138-41-5

>  <URL> (195)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/12292111062D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
  1  7  1  0  0  0  0
  5 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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (196)
6901

>  <Formula> (196)
C15H11ClF3NO

>  <MolWeight> (196)
313.7021496

>  <Cat> (196)
S8951

>  <Name> (196)
TED-347

>  <Synonyms> (196)
N/A

>  <Target> (196)
Hippo pathway

>  <Form> (196)
Free Base

>  <CAS> (196)
2378626-29-8

>  <URL> (196)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/12292111062D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    3.3978    5.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9863    5.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    7.1602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1188    3.0380    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
  1  6  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
  7 11  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
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  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
 24 27  1  0  0  0  0
  9 21  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (197)
6913

>  <Formula> (197)
C20H13FN4O2

>  <MolWeight> (197)
360.3412232

>  <Cat> (197)
S5183

>  <Name> (197)
PD 169316

>  <Synonyms> (197)
N/A

>  <Target> (197)
p38 MAPK

>  <Form> (197)
Free Base

>  <CAS> (197)
152121-53-4

>  <URL> (197)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12292111062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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  1  0  0  0  0
  7  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 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 16  1  0  0  0  0
M  END
>  <Mol_ID> (198)
6927

>  <Formula> (198)
C16H11N3O3

>  <MolWeight> (198)
293.27684

>  <Cat> (198)
S6784

>  <Name> (198)
STAT5-IN-1

>  <Synonyms> (198)
N/A

>  <Target> (198)
STAT

>  <Form> (198)
Free Base

>  <CAS> (198)
285986-31-4

>  <URL> (198)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/12292111062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   10.1782    8.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
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 14 23  1  0  0  0  0
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 17 21  1  0  0  0  0
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M  END
>  <Mol_ID> (199)
6940

>  <Formula> (199)
C20H13F2N3

>  <MolWeight> (199)
333.3341264

>  <Cat> (199)
S6807

>  <Name> (199)
TA-02

>  <Synonyms> (199)
N/A

>  <Target> (199)
p38 MAPK

>  <Form> (199)
Free Base

>  <CAS> (199)
1784751-19-4

>  <URL> (199)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12292111062D

 14 16  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2125    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
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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
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  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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  1 14  2  0  0  0  0
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M  END
>  <Mol_ID> (200)
6951

>  <Formula> (200)
C12H8N2

>  <MolWeight> (200)
180.20532

>  <Cat> (200)
S6830

>  <Name> (200)
o-Phenanthroline

>  <Synonyms> (200)
1,10-Phenanthroline, phen

>  <Target> (200)
MMP

>  <Form> (200)
Free Base

>  <CAS> (200)
66-71-7

>  <URL> (200)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/12292111062D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (201)
6982

>  <Formula> (201)
C26H34N6O3S

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>  <Cat> (201)
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>  <Synonyms> (201)
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>  <Target> (201)
JAK

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>  <CAS> (201)
936091-56-4

>  <URL> (201)
http://www.selleckchem.com/products/tg-89.html

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320.2043

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>  <Synonyms> (202)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (202)
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>  <CAS> (202)
100874-08-6

>  <URL> (202)
http://www.selleckchem.com/products/sb-4.html

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7023

>  <Formula> (203)
C25H19N5S

>  <MolWeight> (203)
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>  <Cat> (203)
S7692

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>  <Synonyms> (203)
N/A

>  <Target> (203)
ALK

>  <Form> (203)
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>  <CAS> (203)
909910-43-6

>  <URL> (203)
http://www.selleckchem.com/products/a-83-01.html

$$$$

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7065

>  <Formula> (204)
C13H11NO5S2

>  <MolWeight> (204)
325.36014

>  <Cat> (204)
S0225

>  <Name> (204)
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>  <Target> (204)
Notch

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free base

>  <CAS> (204)
331862-41-0

>  <URL> (204)
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$$$$

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C21H19N3O3

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>  <Form> (205)
free base

>  <CAS> (205)
2306178-56-1

>  <URL> (205)
http://www.selleckchem.com/products/dmx-5084.html

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7089

>  <Formula> (206)
C14H10N4O3S

>  <MolWeight> (206)
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>  <Target> (206)
Wnt/beta-catenin

>  <Form> (206)
free base

>  <CAS> (206)
292168-79-7

>  <URL> (206)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12292111062D

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7101

>  <Formula> (207)
C23H40N2O3

>  <MolWeight> (207)
392.5753

>  <Cat> (207)
S0752

>  <Name> (207)
AUDA

>  <Target> (207)
Epoxide Hydrolase

>  <Form> (207)
free base

>  <CAS> (207)
479413-70-2

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

$$$$

csChFnd80/12292111062D

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7107

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>  <MolWeight> (208)
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>  <Target> (208)
STAT

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free base

>  <CAS> (208)
2059952-75-7

>  <URL> (208)
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$$$$

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 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (209)
7113

>  <Formula> (209)
C30H48O7

>  <MolWeight> (209)
520.69792

>  <Cat> (209)
S0949

>  <Name> (209)
Cucurbitacin IIb

>  <Target> (209)
STAT

>  <Form> (209)
free base

>  <CAS> (209)
50298-90-3

>  <URL> (209)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/12292111062D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (210)
7133

>  <Formula> (210)
C7H14O6

>  <MolWeight> (210)
194.18246

>  <Cat> (210)
S3223

>  <Name> (210)
L-Quebrachitol

>  <Target> (210)
TGF-beta/Smad

>  <Form> (210)
free base

>  <CAS> (210)
642-38-6

>  <URL> (210)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/12292111062D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (211)
7141

>  <Formula> (211)
C24H32O4

>  <MolWeight> (211)
384.50848

>  <Cat> (211)
S3238

>  <Name> (211)
Resibufogenin

>  <Target> (211)
RIP kinase

>  <Form> (211)
free base

>  <CAS> (211)
465-39-4

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

$$$$

csChFnd80/12292111062D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
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  2 11  1  6  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
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 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
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (212)
7165

>  <Formula> (212)
C27H30O15

>  <MolWeight> (212)
594.5181

>  <Cat> (212)
S3267

>  <Name> (212)
Kaempferol-3-O-rutinoside

>  <Target> (212)
Apoptosis related

>  <Form> (212)
free base

>  <CAS> (212)
17650-84-9

>  <URL> (212)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/12292111062D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  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 11  1  0  0  0  0
 10 12  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
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 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (213)
7186

>  <Formula> (213)
C17H24O2

>  <MolWeight> (213)
260.37126

>  <Cat> (213)
S3292

>  <Name> (213)
Falcarindiol

>  <Target> (213)
NOS

>  <Form> (213)
free base

>  <CAS> (213)
225110-25-8

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

$$$$

csChFnd80/12292111062D

 30 35  0  0  0  0  0  0  0  0999 V2000
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   12.8995    5.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 22 24  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (214)
7278

>  <Formula> (214)
C22H13FN2O5

>  <MolWeight> (214)
404.3474232

>  <Cat> (214)
S9602

>  <Name> (214)
9-ing-41

>  <Target> (214)
GSK-3

>  <Form> (214)
free base

>  <CAS> (214)
1034895-42-5

>  <URL> (214)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/12292111062D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.0473    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    8.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0893    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    4.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    7.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508    4.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (215)
7323

>  <Formula> (215)
C21H18N2O

>  <MolWeight> (215)
314.38042

>  <Cat> (215)
S0765

>  <Name> (215)
MAZ51

>  <Synonyms> (215)
N/A

>  <Target> (215)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (215)
Free Base

>  <CAS> (215)
163655-37-6

>  <URL> (215)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12292111062D

 23 24  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
    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
    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
    1.2124    0.0000    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
    6.0622    2.8000    0.0000 O   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    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
  2  7  1  0  0  0  0
  7  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  1  0  0  0  0
 11 13  2  0  0  0  0
 12 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (216)
7398

>  <Formula> (216)
C16H15FN2O4

>  <MolWeight> (216)
318.2997032

>  <Cat> (216)
S0153

>  <Name> (216)
SJ000291942

>  <Synonyms> (216)
N/A

>  <Target> (216)
TGF-beta/Smad

>  <Form> (216)
Free Base

>  <CAS> (216)
425613-09-8

>  <URL> (216)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12292111062D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (217)
7421

>  <Formula> (217)
C16H11N3O3

>  <MolWeight> (217)
293.27684

>  <Cat> (217)
S0354

>  <Name> (217)
Alsterpaullone

>  <Synonyms> (217)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (217)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (217)
Free Base

>  <CAS> (217)
237430-03-4

>  <URL> (217)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/12292111062D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 O   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
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3001    0.0000 N   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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 24  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 26  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (218)
7425

>  <Formula> (218)
C17H14Cl2N6O

>  <MolWeight> (218)
389.23866

>  <Cat> (218)
S0384

>  <Name> (218)
RO495

>  <Synonyms> (218)
CS-2667

>  <Target> (218)
JAK

>  <Form> (218)
Free Base

>  <CAS> (218)
1258296-60-4

>  <URL> (218)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/12292111062D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7758    5.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    2.3422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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7459

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C18H13F2NO3

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329.2975264

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S0881

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Mitochonic acid 5

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MA-5

>  <Target> (219)
Mitophagy. MAPK. ERK. Yap

>  <Form> (219)
Free Base

>  <CAS> (219)
1354707-41-7

>  <URL> (219)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12292111062D

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>  <Mol_ID> (220)
7612

>  <Formula> (220)
C15H15NO4S

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305.3489

>  <Cat> (220)
S6901

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MSAB

>  <Synonyms> (220)
N/A

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

>  <Form> (220)
Free Base

>  <CAS> (220)
173436-66-3

>  <URL> (220)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/12292111062D

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>  <Mol_ID> (221)
7636

>  <Formula> (221)
C15H17F3N2O

>  <MolWeight> (221)
298.3034896

>  <Cat> (221)
S8950

>  <Name> (221)
MYF-01-37

>  <Synonyms> (221)
N/A

>  <Target> (221)
YAP

>  <Form> (221)
Free Base

>  <CAS> (221)
unknown

>  <URL> (221)
https://www.selleckchem.com/products/myf-01-37.html

$$$$

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7645

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C119H206N32O35

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Colivelin

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CLN

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STAT. Beta Amyloid.

>  <Form> (222)
Free Base

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867021-83-8

>  <URL> (222)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/12292111062D

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>  <Mol_ID> (223)
7664

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C15H18N2O

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242.31622

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S9719

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CB-103

>  <Synonyms> (223)
N/A

>  <Target> (223)
Notch

>  <Form> (223)
Free Base

>  <CAS> (223)
218457-67-1

>  <URL> (223)
https://www.selleckchem.com/products/cb-103.html

$$$$
