General Information of the Compound
| Compound ID |
CP0127414
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| Compound Name |
N-(2,2,2-trifluoroethyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H19F6NO5S2
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| Molecular Weight |
591.551
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C#CC(O)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C25H19F6NO5S2/c1-38(34,35)21-13-7-18(8-14-21)15-16-23(33,25(29,30)31)19-9-11-20(12-10-19)32(17-24(26,27)28)39(36,37)22-5-3-2-4-6-22/h2-14,33H,17H2,1H3
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| InChIKey |
KWVKCBHTUNENFK-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