General Information of the Compound
| Compound ID |
CP0576542
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| Compound Name |
2-[4-[[3-[4-(cyclopropylmethoxy)phenyl]phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C25H23FO5
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| Molecular Weight |
422.452
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| Canonical SMILES |
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc(OCC3CC3)cc2)cc1F
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| InChI |
InChI=1S/C25H23FO5/c26-23-13-22(10-11-24(23)31-16-25(27)28)30-15-18-2-1-3-20(12-18)19-6-8-21(9-7-19)29-14-17-4-5-17/h1-3,6-13,17H,4-5,14-16H2,(H,27,28)
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| InChIKey |
FOJUJKWUPWKPPX-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