General Information of the Compound
| Compound ID |
CP0381432
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| Compound Name |
(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidin-1-yl)(thiophen-3-yl)methanone
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| Structure |
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| Formula |
C18H21N5OS
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| Molecular Weight |
355.467
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| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)c1ccsc1
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| InChI |
InChI=1S/C18H21N5OS/c1-12-4-7-23(18(24)13-5-8-25-10-13)9-15(12)22(2)17-14-3-6-19-16(14)20-11-21-17/h3,5-6,8,10-12,15H,4,7,9H2,1-2H3,(H,19,20,21)
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| InChIKey |
CFQZFXWCFBDZIK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3