General Information of the Compound
| Compound ID |
CP0487296
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| Compound Name |
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C33H37Cl2N3O2S
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| Molecular Weight |
610.651
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| Canonical SMILES |
CSc1ccc(CN(C)C(=O)C2(CC2CN2CCC(CC2)(NC(C)=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C33H37Cl2N3O2S/c1-23(39)36-32(25-7-5-4-6-8-25)15-17-38(18-16-32)22-27-20-33(27,26-11-14-29(34)30(35)19-26)31(40)37(2)21-24-9-12-28(41-3)13-10-24/h4-14,19,27H,15-18,20-22H2,1-3H3,(H,36,39)
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| InChIKey |
WKAVKEJZJBPTLN-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