General Information of the Compound
| Compound ID |
CP0530681
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| Compound Name |
2-{4-[({3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
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| Structure |
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| Formula |
C26H21F3N2O2
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| Molecular Weight |
450.46
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| Canonical SMILES |
Cc1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N2O2/c1-16-14-31-25-21(6-3-7-22(25)26(27,28)29)24(16)19-4-2-5-20(13-19)30-15-18-10-8-17(9-11-18)12-23(32)33/h2-11,13-14,30H,12,15H2,1H3,(H,32,33)
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| InChIKey |
OEDBWXLEGYGITE-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