General Information of the Compound
| Compound ID |
CP0377706
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| Compound Name |
4-(3'-Cyano-phenyl)-N-(6-methylpyridin-2-yl)-benzamide
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| Structure |
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| Formula |
C20H15N3O
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| Molecular Weight |
313.36
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| Canonical SMILES |
Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(c2)C#N)n1
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| InChI |
InChI=1S/C20H15N3O/c1-14-4-2-7-19(22-14)23-20(24)17-10-8-16(9-11-17)18-6-3-5-15(12-18)13-21/h2-12H,1H3,(H,22,23,24)
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| InChIKey |
VBCHNUOZQFDEIE-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