General Information of the Compound
| Compound ID |
CP0159970
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| Compound Name |
N-(2-aminophenyl)-4-(1-{[4-(cyclopropylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(cc1)C1CCN(Cc2ccc(cc2)C(=O)NC2CC2)CC1
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| InChI |
InChI=1S/C29H32N4O2/c30-26-3-1-2-4-27(26)32-29(35)24-11-9-21(10-12-24)22-15-17-33(18-16-22)19-20-5-7-23(8-6-20)28(34)31-25-13-14-25/h1-12,22,25H,13-19,30H2,(H,31,34)(H,32,35)
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| InChIKey |
QBZHGWVJIIGZNU-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