General Information of the Compound
| Compound ID |
CP0472725
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| Compound Name |
4-(2-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H16N6O2S
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| Molecular Weight |
404.455
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| Canonical SMILES |
Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(N)nc3[nH]cc(C#N)c23)cc1
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| InChI |
InChI=1S/C20H16N6O2S/c1-12-2-6-15(7-3-12)26-29(27,28)16-8-4-13(5-9-16)18-17-14(10-21)11-23-19(17)25-20(22)24-18/h2-9,11,26H,1H3,(H3,22,23,24,25)
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| InChIKey |
GUBLWPFJYWDJRS-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