General Information of the Compound
| Compound ID |
CP0434059
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| Compound Name |
2-{4-[({3-[3-cyano-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
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| Structure |
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| Formula |
C26H18F3N3O2
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| Molecular Weight |
461.443
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| Canonical SMILES |
OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1
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| InChI |
InChI=1S/C26H18F3N3O2/c27-26(28,29)22-6-2-5-21-24(19(13-30)15-32-25(21)22)18-3-1-4-20(12-18)31-14-17-9-7-16(8-10-17)11-23(33)34/h1-10,12,15,31H,11,14H2,(H,33,34)
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| InChIKey |
YNYIBKWUFCUQQY-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