General Information of the Compound
| Compound ID |
CP0427064
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| Compound Name |
3-amino-6-[(2-aminocyclohexyl)amino]-1-benzylpyrrolo[2,3-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C21H24N6
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| Molecular Weight |
360.465
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| Canonical SMILES |
NC1CCCCC1Nc1nc2n(Cc3ccccc3)cc(N)c2cc1C#N
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| InChI |
InChI=1S/C21H24N6/c22-11-15-10-16-18(24)13-27(12-14-6-2-1-3-7-14)21(16)26-20(15)25-19-9-5-4-8-17(19)23/h1-3,6-7,10,13,17,19H,4-5,8-9,12,23-24H2,(H,25,26)
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| InChIKey |
PQKACZKOIPQFAQ-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