General Information of the Compound
| Compound ID |
CP0453515
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| Compound Name |
3-[3-[4-[(benzylamino)methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
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| Structure |
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| Formula |
C25H22N6
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| Molecular Weight |
406.493
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| Canonical SMILES |
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNCc2ccccc2)cc1
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| InChI |
InChI=1S/C25H22N6/c26-23-21(8-4-14-28-23)24-30-22-9-5-15-29-25(22)31(24)20-12-10-19(11-13-20)17-27-16-18-6-2-1-3-7-18/h1-15,27H,16-17H2,(H2,26,28)
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| InChIKey |
LQSXSFCEWIASQF-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