General Information of the Compound
| Compound ID |
CP0176090
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| Compound Name |
3-[4-[[5-fluoro-2-(4-methylphenyl)phenoxy]methyl]phenyl]propanoic acid
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| Formula |
C23H21FO3
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| Molecular Weight |
364.416
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C23H21FO3/c1-16-2-9-19(10-3-16)21-12-11-20(24)14-22(21)27-15-18-6-4-17(5-7-18)8-13-23(25)26/h2-7,9-12,14H,8,13,15H2,1H3,(H,25,26)
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| InChIKey |
SAZGEAQJANHKPT-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