General Information of the Compound
| Compound ID |
CP0432790
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| Compound Name |
1,1,1-trifluoro-2-(4-(1-((4-fluorophenyl)sulfonyl)cyclopentyl)phenyl)propan-2-ol Step A: 1-fluoro-4-((4-iodobenzyl)sulfonyl)benzene
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| Structure |
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| Formula |
C20H20F4O3S
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| Molecular Weight |
416.436
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| Canonical SMILES |
CC(O)(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F4O3S/c1-18(25,20(22,23)24)14-4-6-15(7-5-14)19(12-2-3-13-19)28(26,27)17-10-8-16(21)9-11-17/h4-11,25H,2-3,12-13H2,1H3
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| InChIKey |
RWBSXNHLRLVENO-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2