General Information of the Compound
| Compound ID |
CP0437268
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| Compound Name |
2-{4-[({3-[3-carbamoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
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| Structure |
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| Formula |
C26H20F3N3O3
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| Molecular Weight |
479.458
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| Canonical SMILES |
NC(=O)c1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H20F3N3O3/c27-26(28,29)21-6-2-5-19-23(20(25(30)35)14-32-24(19)21)17-3-1-4-18(12-17)31-13-16-9-7-15(8-10-16)11-22(33)34/h1-10,12,14,31H,11,13H2,(H2,30,35)(H,33,34)
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| InChIKey |
WYSNMXQODNGIQW-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