General Information of the Compound
| Compound ID |
CP0577000
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| Compound Name |
2-[2-fluoro-4-[[3-[2-methyl-5-(2-methylpropoxy)phenyl]phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C26H27FO5
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| Molecular Weight |
438.495
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| Canonical SMILES |
CC(C)COc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C26H27FO5/c1-17(2)14-30-21-8-7-18(3)23(12-21)20-6-4-5-19(11-20)15-31-22-9-10-25(24(27)13-22)32-16-26(28)29/h4-13,17H,14-16H2,1-3H3,(H,28,29)
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| InChIKey |
UDNNHVSKYNMZBE-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