General Information of the Compound
Compound ID |
CP0205696
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Compound Name |
N-(2-aminophenyl)-4-(1-{[4-(methylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
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Structure |
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Formula |
C27H30N4O2
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Molecular Weight |
442.563
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Canonical SMILES |
CNC(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
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InChI |
InChI=1S/C27H30N4O2/c1-29-26(32)22-8-6-19(7-9-22)18-31-16-14-21(15-17-31)20-10-12-23(13-11-20)27(33)30-25-5-3-2-4-24(25)28/h2-13,21H,14-18,28H2,1H3,(H,29,32)(H,30,33)
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InChIKey |
PPIFUYCFGJGTGQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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