General Information of the Compound
| Compound ID |
CP0498913
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| Compound Name |
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C32H33Cl4N3O2
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| Molecular Weight |
633.447
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| Canonical SMILES |
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)17-24)30(41)38(2)19-22-8-10-26(33)28(35)16-22/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)
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| InChIKey |
YUJFTKLYMNNTRQ-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