General Information of the Compound
| Compound ID |
CP0159969
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| Compound Name |
N-(2-aminophenyl)-4-(1-{[4-(dimethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
CN(C)C(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C28H32N4O2/c1-31(2)28(34)24-9-7-20(8-10-24)19-32-17-15-22(16-18-32)21-11-13-23(14-12-21)27(33)30-26-6-4-3-5-25(26)29/h3-14,22H,15-19,29H2,1-2H3,(H,30,33)
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| InChIKey |
RKDSFEZOQXKQOR-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