General Information of the Compound
| Compound ID |
CP0456819
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| Compound Name |
N-(4-chlorophenyl)-1-(3-ethenylbenzoyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(C=C)c2)cc1
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| InChI |
InChI=1S/C21H21ClN2O2/c1-2-15-5-3-6-16(13-15)21(26)24-12-4-7-17(14-24)20(25)23-19-10-8-18(22)9-11-19/h2-3,5-6,8-11,13,17H,1,4,7,12,14H2,(H,23,25)
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| InChIKey |
ZOXRGDBGFKQBHU-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