General Information of the Compound
| Compound ID |
CP0456212
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| Compound Name |
N-(3-cyanophenyl)-2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methylpyridin-2-yl)pyrazol-1-yl]acetamide
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| Structure |
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| Formula |
C28H23N7O
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| Molecular Weight |
473.54
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| Canonical SMILES |
Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1cccc(c1)C#N)-c1ccc2nc(C)c(C)nc2c1
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| InChI |
InChI=1S/C28H23N7O/c1-17-6-4-9-25(31-17)28-23(21-10-11-24-26(13-21)33-19(3)18(2)32-24)15-30-35(28)16-27(36)34-22-8-5-7-20(12-22)14-29/h4-13,15H,16H2,1-3H3,(H,34,36)
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| InChIKey |
ZYENJEUYHCXCAU-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