General Information of the Compound
| Compound ID |
CP0545560
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| Compound Name |
2-[2-fluoro-4-[[3-(2-methyl-5-propoxyphenyl)phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H25FO5
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| Molecular Weight |
424.468
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| Canonical SMILES |
CCCOc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C25H25FO5/c1-3-11-29-20-8-7-17(2)22(13-20)19-6-4-5-18(12-19)15-30-21-9-10-24(23(26)14-21)31-16-25(27)28/h4-10,12-14H,3,11,15-16H2,1-2H3,(H,27,28)
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| InChIKey |
ZOMQDHLEVLBENQ-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: PT00909, Peroxisome proliferator-activated receptor delta