General Information of the Compound
| Compound ID |
CP0489225
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| Compound Name |
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C33H34Cl2F3N3O2
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| Molecular Weight |
632.554
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| Canonical SMILES |
CN(Cc1cccc(c1)C(F)(F)F)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-8-4-3-5-9-24)13-15-41(16-14-31)21-27-19-32(27,25-11-12-28(34)29(35)18-25)30(43)40(2)20-23-7-6-10-26(17-23)33(36,37)38/h3-12,17-18,27H,13-16,19-21H2,1-2H3,(H,39,42)
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| InChIKey |
HNONFUHKZPMDDO-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