General Information of the Compound
| Compound ID |
CP0394528
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| Compound Name |
2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
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| Structure |
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| Formula |
C24H25F7N2O5S
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| Molecular Weight |
586.526
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| Canonical SMILES |
CC(C)(O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H25F7N2O5S/c1-21(2,35)13-32-20(34)12-17-7-3-14-11-15(22(36,23(26,27)28)24(29,30)31)4-10-19(14)33(17)39(37,38)18-8-5-16(25)6-9-18/h4-6,8-11,17,35-36H,3,7,12-13H2,1-2H3,(H,32,34)/t17-/m0/s1
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| InChIKey |
WKDNXLPZDBZVOG-KRWDZBQOSA-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