General Information of the Compound
| Compound ID |
CP0283094
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| Compound Name |
3-{3-[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)c1cccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C31H20F3NO4/c32-31(33,34)26-14-6-13-24-27(25(17-35-28(24)26)29(36)20-8-2-1-3-9-20)21-10-5-12-23(16-21)39-18-19-7-4-11-22(15-19)30(37)38/h1-17H,18H2,(H,37,38)
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| InChIKey |
BXYZFBZFOPCYGD-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