General Information of the Compound
| Compound ID |
CP0408982
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| Compound Name |
methyl 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]acetate
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| Structure |
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| Formula |
C20H16F7NO5S2
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| Molecular Weight |
547.47
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| Canonical SMILES |
COC(=O)CC1CN(c2ccc(cc2S1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H16F7NO5S2/c1-33-17(29)9-13-10-28(35(31,32)14-5-3-12(21)4-6-14)15-7-2-11(8-16(15)34-13)18(30,19(22,23)24)20(25,26)27/h2-8,13,30H,9-10H2,1H3
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| InChIKey |
XSVGKHXBWUUWFX-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