General Information of the Compound
| Compound ID |
CP0237669
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| Compound Name |
2-(3-fluoro-4-methylsulfonylphenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C23H26F4N2O3S
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| Molecular Weight |
486.531
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| Canonical SMILES |
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H26F4N2O3S/c1-28(22(30)14-17-5-8-21(20(24)13-17)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,13,19H,9-12,14-15H2,1-2H3
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| InChIKey |
XLRFNVGYXCZQNE-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