General Information of the Compound
| Compound ID |
CP0537142
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| Compound Name |
1-[1-(4-fluorobenzenesulfonyl)cyclopentyl]-4-(heptafluoropropan-2-yl)benzene
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| Structure |
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| Formula |
C20H16F8O2S
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| Molecular Weight |
472.397
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H16F8O2S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(22,19(23,24)25)20(26,27)28/h3-10H,1-2,11-12H2
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| InChIKey |
BRZMGCBYNWBKCQ-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