General Information of the Compound
| Compound ID |
CP0502591
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| Compound Name |
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C32H37F3N2O3S
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| Molecular Weight |
586.72
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H37F3N2O3S/c1-3-37(31(38)23-24-9-15-29(16-10-24)41(2,39)40)28-17-20-36(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33,34)35/h4-16,28,30H,3,17-23H2,1-2H3
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| InChIKey |
CVPHPQWQOOHBMW-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