General Information of the Compound
| Compound ID |
CP0533396
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| Compound Name |
3-cyano-N-(3-(4-methoxybenzyl)-6-(piperidine-1-carbonyl)-3H-imidazo[4,5-b]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C28H26N6O3
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| Molecular Weight |
494.555
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| Canonical SMILES |
COc1ccc(Cn2c(NC(=O)c3cccc(c3)C#N)nc3cc(cnc23)C(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C28H26N6O3/c1-37-23-10-8-19(9-11-23)18-34-25-24(15-22(17-30-25)27(36)33-12-3-2-4-13-33)31-28(34)32-26(35)21-7-5-6-20(14-21)16-29/h5-11,14-15,17H,2-4,12-13,18H2,1H3,(H,31,32,35)
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| InChIKey |
LCFAEAFTUJEECB-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