General Information of the Compound
| Compound ID |
CP0075226
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| Compound Name |
N-(4-chlorophenyl)-3-(2-cyanoethyl)-3-phenylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCCC(CCC#N)(C2)c2ccccc2)cc1
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| InChI |
InChI=1S/C21H22ClN3O/c22-18-8-10-19(11-9-18)24-20(26)25-15-5-13-21(16-25,12-4-14-23)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-13,15-16H2,(H,24,26)
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| InChIKey |
PLHSBHYVGMRRQD-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