General Information of the Compound
| Compound ID |
CP0381516
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| Compound Name |
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C32H34Cl2FN3O2
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| Molecular Weight |
582.547
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| Canonical SMILES |
CN(Cc1cccc(F)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-8-4-3-5-9-24)13-15-38(16-14-31)21-26-19-32(26,25-11-12-28(33)29(34)18-25)30(40)37(2)20-23-7-6-10-27(35)17-23/h3-12,17-18,26H,13-16,19-21H2,1-2H3,(H,36,39)
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| InChIKey |
VBLXYTXLCHOLLW-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