General Information of the Compound
| Compound ID |
CP0283093
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| Compound Name |
4-{4-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoic acid
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| Structure |
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| Formula |
C31H20F3NO4
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| Molecular Weight |
527.498
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(cc2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H20F3NO4/c32-31(33,34)26-8-4-7-24-27(25(17-35-28(24)26)29(36)21-5-2-1-3-6-21)20-13-15-23(16-14-20)39-18-19-9-11-22(12-10-19)30(37)38/h1-17H,18H2,(H,37,38)
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| InChIKey |
PNGPMNXTYUTTTK-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