General Information of the Compound
| Compound ID |
CP0902236
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| Compound Name |
N-benzyl-4-cyano-N-(3-(2-(3-methylbenzylamino)-2-oxoethyl)phenyl)benzamide
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| Structure |
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| Formula |
C31H27N3O2
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| Molecular Weight |
473.576
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| Canonical SMILES |
Cc1cccc(CNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)c2)c1
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| InChI |
InChI=1S/C31H27N3O2/c1-23-7-5-11-27(17-23)21-33-30(35)19-26-10-6-12-29(18-26)34(22-25-8-3-2-4-9-25)31(36)28-15-13-24(20-32)14-16-28/h2-18H,19,21-22H2,1H3,(H,33,35)
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| InChIKey |
AFDINYYAACAQIH-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