General Information of the Compound
| Compound ID |
CP0508227
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| Compound Name |
3-(2-cyanopropan-2-yl)-N-[3-[(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]benzamide
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| Structure |
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| Formula |
C25H22N6O3
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| Molecular Weight |
454.49
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3cccc(NC(=O)c4cccc(c4)C(C)(C)C#N)c3)cc12
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| InChI |
InChI=1S/C25H22N6O3/c1-25(2,14-26)17-8-4-6-15(10-17)22(32)28-18-9-5-7-16(11-18)23(33)29-19-12-20-21(27-13-19)30-31-24(20)34-3/h4-13H,1-3H3,(H,28,32)(H,29,33)(H,27,30,31)
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| InChIKey |
KTFLVJHECROJBK-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