General Information of the Compound
Compound ID |
CP0427319
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Compound Name |
2-[4-(4-fluorophenyl)sulfonyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-2-yl]-N-pyridin-4-ylacetamide
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Structure |
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Formula |
C24H18F7N3O4S2
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Molecular Weight |
609.545
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Canonical SMILES |
OC(c1ccc2N(CC(CC(=O)Nc3ccncc3)Sc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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InChI |
InChI=1S/C24H18F7N3O4S2/c25-15-2-4-18(5-3-15)40(37,38)34-13-17(12-21(35)33-16-7-9-32-10-8-16)39-20-11-14(1-6-19(20)34)22(36,23(26,27)28)24(29,30)31/h1-11,17,36H,12-13H2,(H,32,33,35)
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InChIKey |
YOFKGHWSZHDQNO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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