General Information of the Compound
| Compound ID |
CP0522252
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| Compound Name |
(2E)-3-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C33H23F3N2O3
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| Molecular Weight |
552.552
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C33H23F3N2O3/c34-33(35,36)28-11-5-10-26-30(27(20-38-31(26)28)32(41)23-6-2-1-3-7-23)24-8-4-9-25(18-24)37-19-22-14-12-21(13-15-22)16-17-29(39)40/h1-18,20,37H,19H2,(H,39,40)/b17-16+
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| InChIKey |
LNTBWVXFQSTLPE-WUKNDPDISA-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