General Information of the Compound
| Compound ID |
CP0508631
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| Compound Name |
3-[4-[[3-(2,6-dimethylphenyl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C25H25FO4
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| Molecular Weight |
408.469
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| Canonical SMILES |
COc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)cccc1C
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| InChI |
InChI=1S/C25H25FO4/c1-16-5-4-6-17(2)25(16)20-11-18(12-22(13-20)29-3)15-30-21-9-7-19(23(26)14-21)8-10-24(27)28/h4-7,9,11-14H,8,10,15H2,1-3H3,(H,27,28)
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| InChIKey |
UHEOBHVHLOPVHH-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: PT02522, Free fatty acid receptor 1