General Information of the Compound
| Compound ID |
CP0131887
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| Compound Name |
N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C16H16N6O2S
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| Molecular Weight |
356.411
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| Canonical SMILES |
CN(c1ncccc1CNc1c(cnc2[nH]ccc12)C#N)S(C)(=O)=O
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| InChI |
InChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21)
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| InChIKey |
FVYZBIDFHQMXCK-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