General Information of the Compound
| Compound ID |
CP0476559
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| Compound Name |
3-[4-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H19F3O3
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| Molecular Weight |
400.396
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H19F3O3/c24-23(25,26)19-10-8-17(9-11-19)21-4-2-1-3-18(21)15-29-20-12-5-16(6-13-20)7-14-22(27)28/h1-6,8-13H,7,14-15H2,(H,27,28)
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| InChIKey |
JXLQSMNWXDNYTL-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4