General Information of the Compound
| Compound ID |
CP0531061
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| Compound Name |
1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C27H35FN2O
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| Molecular Weight |
422.588
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| Canonical SMILES |
CN(CC1(CCCCC1)c1ccc(F)cc1)C(=O)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H35FN2O/c1-29(21-27(16-6-3-7-17-27)24-10-12-25(28)13-11-24)26(31)23-14-18-30(19-15-23)20-22-8-4-2-5-9-22/h2,4-5,8-13,23H,3,6-7,14-21H2,1H3
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| InChIKey |
AAODAPWBBKJMEX-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