General Information of the Compound
| Compound ID |
CP0576009
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| Compound Name |
2-[2-fluoro-4-[[3-(5-methoxy-2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C23H21FO5
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| Molecular Weight |
396.414
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| Canonical SMILES |
COc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C23H21FO5/c1-15-6-7-18(27-2)11-20(15)17-5-3-4-16(10-17)13-28-19-8-9-22(21(24)12-19)29-14-23(25)26/h3-12H,13-14H2,1-2H3,(H,25,26)
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| InChIKey |
AAPAORIXJDXFOD-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