General Information of the Compound
| Compound ID |
CP0394758
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| Compound Name |
2-(4-{[(3-{3-[hydroxy(phenyl)methyl]-8-(trifluoromethyl)quinolin-4-yl}phenyl)amino]methyl}phenyl)acetic acid
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| Structure |
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| Formula |
C32H25F3N2O3
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| Molecular Weight |
542.557
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| Canonical SMILES |
OC(c1ccccc1)c1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
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| InChI |
InChI=1S/C32H25F3N2O3/c33-32(34,35)27-11-5-10-25-29(26(19-37-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)36-18-21-14-12-20(13-15-21)16-28(38)39/h1-15,17,19,31,36,40H,16,18H2,(H,38,39)
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| InChIKey |
FLJYMVVOBYULHJ-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