General Information of the Compound
| Compound ID |
CP0017946
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| Compound Name |
tert-butyl 6-[[4-[acetyl(methyl)amino]phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate
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| Structure |
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| Formula |
C22H24F3NO5
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| Molecular Weight |
439.43
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| Canonical SMILES |
CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3NO5/c1-13(27)26(5)15-7-9-16(10-8-15)30-12-14-6-11-17(22(23,24)25)19(28)18(14)20(29)31-21(2,3)4/h6-11,28H,12H2,1-5H3
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| InChIKey |
XRYDEEKHRNPJOZ-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta