General Information of the Compound
| Compound ID |
CP0099926
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| Compound Name |
[4-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H25F6NO6S2
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| Molecular Weight |
601.587
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| Canonical SMILES |
CC(C)(C1CCN(CC1)C(=O)c1ccc(cc1OC(F)(F)F)S(C)(=O)=O)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F6NO6S2/c1-22(2,39(35,36)18-6-4-5-16(13-18)23(25,26)27)15-9-11-31(12-10-15)21(32)19-8-7-17(38(3,33)34)14-20(19)37-24(28,29)30/h4-8,13-15H,9-12H2,1-3H3
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| InChIKey |
YUAUQYXSYMIINF-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