General Information of the Compound
| Compound ID |
CP0408978
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoxalin-6-yl]propan-2-ol
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| Structure |
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| Formula |
C17H13F7N2O3S
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| Molecular Weight |
458.355
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| Canonical SMILES |
OC(c1ccc2N(CCNc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H13F7N2O3S/c18-11-2-4-12(5-3-11)30(28,29)26-8-7-25-13-9-10(1-6-14(13)26)15(27,16(19,20)21)17(22,23)24/h1-6,9,25,27H,7-8H2
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| InChIKey |
ZVRXQJVIPWKPHC-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta