General Information of the Compound
| Compound ID |
CP0556811
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| Compound Name |
1-(2-(benzyloxy)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-(1-((4-fluorophenyl)sulfonyl)cyclopentyl)benzene
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| Structure |
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| Formula |
C27H23F7O3S
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| Molecular Weight |
560.531
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccccc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H23F7O3S/c28-22-12-14-23(15-13-22)38(35,36)24(16-4-5-17-24)20-8-10-21(11-9-20)25(26(29,30)31,27(32,33)34)37-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
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| InChIKey |
QGTKIIILYWEZDX-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