General Information of the Compound
| Compound ID |
CP0453354
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| Compound Name |
4-[2-[(6-amino-2H-pyrazolo[3,4-b]pyridin-3-yl)methylamino]pyridin-4-yl]-3-methylbenzonitrile
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| Structure |
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| Formula |
C20H17N7
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| Molecular Weight |
355.405
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| Canonical SMILES |
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(N)ccc23)c1)C#N
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| InChI |
InChI=1S/C20H17N7/c1-12-8-13(10-21)2-3-15(12)14-6-7-23-19(9-14)24-11-17-16-4-5-18(22)25-20(16)27-26-17/h2-9H,11H2,1H3,(H,23,24)(H3,22,25,26,27)
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| InChIKey |
BDFDDNBUMMBWBK-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