General Information of the Compound
| Compound ID |
CP0271790
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| Compound Name |
3-[4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C20H14F6O4
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| Molecular Weight |
432.316
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
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| InChIKey |
KAYILIDZNSBIOB-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1