General Information of the Compound
| Compound ID |
CP0519282
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| Compound Name |
1-(2-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-sulfonamide
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| Structure |
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| Formula |
C12H15N7O2S
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| Molecular Weight |
321.366
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| Canonical SMILES |
Nc1nc(N2CCC(CC2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C12H15N7O2S/c13-5-7-6-16-10-9(7)11(18-12(14)17-10)19-3-1-8(2-4-19)22(15,20)21/h6,8H,1-4H2,(H2,15,20,21)(H3,14,16,17,18)
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| InChIKey |
WWYWTCGTQHTFSL-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