General Information of the Compound
| Compound ID |
CP0528603
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| Compound Name |
1-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidin-1-yl)-2-(methylsulfonyl)ethanone
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| Structure |
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| Formula |
C16H23N5O3S
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| Molecular Weight |
365.459
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| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CS(C)(=O)=O
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| InChI |
InChI=1S/C16H23N5O3S/c1-11-5-7-21(14(22)9-25(3,23)24)8-13(11)20(2)16-12-4-6-17-15(12)18-10-19-16/h4,6,10-11,13H,5,7-9H2,1-3H3,(H,17,18,19)
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| InChIKey |
BUNOUGVLAYVGAE-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