General Information of the Compound
| Compound ID |
CP0427313
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl]propan-2-ol
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| Structure |
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| Formula |
C20H18F7NO3S
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| Molecular Weight |
485.421
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| Canonical SMILES |
CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H18F7NO3S/c1-17(2)9-10-28(32(30,31)14-6-4-13(21)5-7-14)16-8-3-12(11-15(16)17)18(29,19(22,23)24)20(25,26)27/h3-8,11,29H,9-10H2,1-2H3
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| InChIKey |
IFPBFPWEKKDYCO-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta