General Information of the Compound
| Compound ID |
CP0453353
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| Compound Name |
3-methyl-4-[2-(2H-pyrazolo[3,4-b]pyridin-3-ylmethylamino)pyridin-4-yl]benzonitrile
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| Structure |
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| Formula |
C20H16N6
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| Molecular Weight |
340.39
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| Canonical SMILES |
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3ncccc23)c1)C#N
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| InChI |
InChI=1S/C20H16N6/c1-13-9-14(11-21)4-5-16(13)15-6-8-22-19(10-15)24-12-18-17-3-2-7-23-20(17)26-25-18/h2-10H,12H2,1H3,(H,22,24)(H,23,25,26)
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| InChIKey |
CRMHIMZHDACTSU-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