General Information of the Compound
| Compound ID |
CP0436387
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| Compound Name |
2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}-2,2-difluoroacetic acid
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| Structure |
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| Formula |
C32H21F5N2O3
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| Molecular Weight |
576.521
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| Canonical SMILES |
OC(=O)C(F)(F)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C32H21F5N2O3/c33-31(34,30(41)42)22-14-12-19(13-15-22)17-38-23-9-4-8-21(16-23)27-24-10-5-11-26(32(35,36)37)28(24)39-18-25(27)29(40)20-6-2-1-3-7-20/h1-16,18,38H,17H2,(H,41,42)
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| InChIKey |
DUOZJJLSLMAQCI-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