General Information of the Compound
| Compound ID |
CP0427318
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-4-methyl-2,3-dihydroquinoxalin-6-yl]propan-2-ol
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| Structure |
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| Formula |
C18H15F7N2O3S
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| Molecular Weight |
472.382
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| Canonical SMILES |
CN1CCN(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/C18H15F7N2O3S/c1-26-8-9-27(31(29,30)13-5-3-12(19)4-6-13)14-7-2-11(10-15(14)26)16(28,17(20,21)22)18(23,24)25/h2-7,10,28H,8-9H2,1H3
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| InChIKey |
ADKOPWFCGKLXMN-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