General Information of the Compound
| Compound ID |
CP0408980
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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]acetic acid
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| Structure |
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| Formula |
C19H14F7NO5S2
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| Molecular Weight |
533.443
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| Canonical SMILES |
OC(=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/C19H14F7NO5S2/c20-11-2-4-13(5-3-11)34(31,32)27-9-12(8-16(28)29)33-15-7-10(1-6-14(15)27)17(30,18(21,22)23)19(24,25)26/h1-7,12,30H,8-9H2,(H,28,29)
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| InChIKey |
UOXQKFLDAXTYKE-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