Y-27632 2HCL.cdx
csChFnd80/05221716572D

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Y-27632 2HCl

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S1049

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N/A

>  <Target> (1)
ROCK

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Dihydrochloride

>  <URL> (1)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (1)
129830-38-2

>  <ALogP> (1)
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Y-27632 2HCL.cdx

$$$$
untitled.cdx
csChFnd80/05221716572D

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M  END
>  <Mol_ID> (2)
36

>  <Formula> (2)
C32H29N5O2

>  <MolWeight> (2)
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>  <Item Name> (2)
Enzastaurin (LY317615)

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S1055

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N/A

>  <Target> (2)
PKC

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Free Base

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

>  <CAS Number> (2)
170364-57-5

>  <ALogP> (2)
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1

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5

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untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716572D

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M  END
>  <Mol_ID> (3)
42

>  <Formula> (3)
C22H16N4O3

>  <MolWeight> (3)
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S1067

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N/A

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TGF-beta/Smad

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Free Base

>  <URL> (3)
http://www.selleckchem.com/products/SB-431542.html

>  <CAS Number> (3)
301836-41-9

>  <ALogP> (3)
3.447

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5

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2

>  <Num_RotatableBonds> (3)
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>  <Name> (3)
untitled.cdx

$$$$
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csChFnd80/05221716572D

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45

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N/A

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GSK-3

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$$$$
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Hedgehog, P-gp

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Bcr-Abl, JAK, Aurora Kinase

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csChFnd80/05221716572D

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JAK, EGFR

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AG-490.cdx

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BMS-708163 (Avagacestat)

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Gamma-secretase

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Free Base

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1146699-66-2

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BMS-708163.cdx

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/05221716572D

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C22H19Cl3N8

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CHIR-99021 (CT99021) HCl

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S2924

>  <Synonyms> (10)
N/A

>  <Target> (10)
PI3K/Akt/mTOR

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Hydrochloride

>  <URL> (10)
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>  <CAS Number> (10)
252917-06-9 (free base)

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CHIR-99021 (CT99021) hcl.cdx

$$$$
Thiazovivin.cdx
csChFnd80/05221716572D

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297

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C15H13N5OS

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>  <Target> (11)
ROCK

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Free Base

>  <URL> (11)
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1226056-71-8

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Thiazovivin.cdx

$$$$
GSK429286A.cdx
csChFnd80/05221716572D

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ROCK

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GSK429286A.cdx

$$$$
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TGF-beta/Smad

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SB525334.cdx

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Fasudil HCl.cdx
csChFnd80/05221716572D

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Fasudil HCl (HA-1077)

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S1573

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AT-877

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ROCK

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Hydrochloride

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105628-07-7

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Fasudil HCl.cdx

$$$$
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Y-Secretase

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RO4929097.cdx

$$$$
Semagacestat.cdx
csChFnd80/05221716572D

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372

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LY-450139, LY450139

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Gamma-secretase

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Free Base

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425386-60-3

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$$$$

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JAK

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HCl

>  <URL> (17)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (17)
1092499-93-8 (free base)

>  <ALogP> (17)
3.92

>  <HBA_Count> (17)
4

>  <HBD_Count> (17)
1

>  <Num_RotatableBonds> (17)
5

$$$$
Baricitinib.cdx
csChFnd80/05221716572D

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M  END
>  <Mol_ID> (18)
488

>  <Formula> (18)
C16H17N7O2S

>  <MolWeight> (18)
371.41688

>  <Item Name> (18)
Baricitinib (LY3009104)

>  <Catalog Number> (18)
S2851

>  <Synonyms> (18)
INCB 28050

>  <Target> (18)
JAK

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (18)
1187594-09-7

>  <ALogP> (18)
0.36

>  <HBA_Count> (18)
5

>  <HBD_Count> (18)
1

>  <Num_RotatableBonds> (18)
5

>  <Name> (18)
Baricitinib.cdx

$$$$
Indirubin.cdx
csChFnd80/05221716572D

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M  END
>  <Mol_ID> (19)
539

>  <Formula> (19)
C16H10N2O2

>  <MolWeight> (19)
262.2628

>  <Item Name> (19)
Indirubin

>  <Catalog Number> (19)
S2386

>  <Synonyms> (19)
N/A

>  <Target> (19)
GSK-3

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
479-41-4

>  <ALogP> (19)
1.876

>  <HBA_Count> (19)
2

>  <HBD_Count> (19)
2

>  <Num_RotatableBonds> (19)
0

>  <Name> (19)
Indirubin.cdx

$$$$
Quercetin.cdx
csChFnd80/05221716572D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (20)
543

>  <Formula> (20)
C15H10O7

>  <MolWeight> (20)
302.2357

>  <Item Name> (20)
Quercetin (Sophoretin)

>  <Catalog Number> (20)
S2391

>  <Synonyms> (20)
Meletin, Quercetine

>  <Target> (20)
PI3K, PKC, Src, Sirtuin

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
117-39-5

>  <ALogP> (20)
1.63

>  <HBA_Count> (20)
2

>  <HBD_Count> (20)
5

>  <Num_RotatableBonds> (20)
1

>  <Name> (20)
Quercetin.cdx

$$$$
LDE225.cdx
csChFnd80/05221716572D

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>  <Mol_ID> (21)
571

>  <Formula> (21)
C26H26F3N3O3

>  <MolWeight> (21)
485.4981496

>  <Item Name> (21)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (21)
S2151

>  <Synonyms> (21)
N/A

>  <Target> (21)
Smoothened

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (21)
956697-53-3

>  <ALogP> (21)
6.732

>  <HBA_Count> (21)
4

>  <HBD_Count> (21)
1

>  <Num_RotatableBonds> (21)
6

>  <Name> (21)
LDE225.cdx

$$$$
LY2784544.cdx
csChFnd80/05221716572D

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Histamine Receptor

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Free Base

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520-33-2

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Hesperetin.cdx

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>  <Synonyms> (27)
Cyclosiversioside F

>  <Target> (27)
Calcium Channel

>  <Form> (27)
Free Base

>  <URL> (27)
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Astragaloside A.cdx

$$$$
LY 411575.cdx
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>  <Synonyms> (28)
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Gamma-secretase

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Free Base

>  <URL> (28)
http://www.selleckchem.com/products/ly-411575.html

>  <CAS Number> (28)
209984-57-6

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>  <Name> (28)
LY 411575.cdx

$$$$
TG1012009.cdx
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Flt, JAK, c-RET

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936091-14-4

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Tofacitinib citrate (CP-690550 citrate)

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N/A

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JAK

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Citrate

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http://www.selleckchem.com/products/CP-690550.html

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540737-29-9

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CP-690550 citrate.cdx

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TGF-beta/Smad

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700874-72-2

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Gamma-secretase

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$$$$
ZM39923 HCl.cdx
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JAK

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HCl

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ZM39923 HCl.cdx

$$$$
BMS-833923 (XL139).cdx
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$$$$
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JAK

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PF-5274857.cdx

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Ro 31-8220 mesylate.cdx
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Bisindolylmaleimide IX Mesylate

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PKC

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Mesylate

>  <URL> (80)
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Ro 31-8220 mesylate.cdx

$$$$
LDN193189 HCl.cdx
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TGF-beta/Smad

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http://www.selleckchem.com/products/ldn-193189-HCl.html

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LDN193189 HCl.cdx

$$$$
LM-3334 VX-509.cdx
csChFnd80/05221716572D

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Free Base

>  <URL> (82)
http://www.selleckchem.com/products/decernotinib-vx-509.html

>  <CAS Number> (82)
944842-54-0

>  <ALogP> (82)
2.747

>  <HBA_Count> (82)
4

>  <HBD_Count> (82)
3

>  <Num_RotatableBonds> (82)
7

>  <Name> (82)
LM-3334 VX-509.cdx

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/05221716572D

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M  END
>  <Mol_ID> (83)
2370

>  <Formula> (83)
C19H19ClN4O3

>  <MolWeight> (83)
386.83216

>  <Item Name> (83)
Wnt agonist 1

>  <Catalog Number> (83)
S8178

>  <Synonyms> (83)
N/A

>  <Target> (83)
Wnt/beta-catenin

>  <Form> (83)
Hydrochloride 

>  <URL> (83)
http://www.selleckchem.com/products/wnt-agonist-1.html

>  <CAS Number> (83)
853220-52-7(free-base)

>  <ALogP> (83)
3.837

>  <HBA_Count> (83)
5

>  <HBD_Count> (83)
2

>  <Num_RotatableBonds> (83)
5

>  <Name> (83)
Wnt agonist 1 HCl.cdx

$$$$
Oclacitinib maleate.cdx
csChFnd80/05221716572D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (84)
2380

>  <Formula> (84)
C19H27N5O6S

>  <MolWeight> (84)
453.51258

>  <Item Name> (84)
Oclacitinib maleate

>  <Catalog Number> (84)
S8195

>  <Synonyms> (84)
PF-03394197

>  <Target> (84)
JAK

>  <Form> (84)
maleate

>  <URL> (84)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (84)
1640292-55-2

>  <ALogP> (84)
1.758

>  <HBA_Count> (84)
6

>  <HBD_Count> (84)
2

>  <Num_RotatableBonds> (84)
7

>  <Name> (84)
Oclacitinib maleate.cdx

$$$$
PRI-724.cdx
csChFnd80/05221716572D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
2413

>  <Formula> (85)
C33H32N4O4

>  <MolWeight> (85)
548.63158

>  <Item Name> (85)
PRI-724

>  <Catalog Number> (85)
S8262

>  <Synonyms> (85)
N/A

>  <Target> (85)
Wnt/beta-catenin

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/pri-724.html

>  <CAS Number> (85)
847591-62-2

>  <ALogP> (85)
4.065

>  <HBA_Count> (85)
3

>  <HBD_Count> (85)
2

>  <Num_RotatableBonds> (85)
6

>  <Name> (85)
PRI-724.cdx

$$$$
APTSTAT3-9R.cdx
csChFnd80/05221716572D

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STAT

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ACCURBRON (theophylline).cdx

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3.cdx
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