General Information of the Compound
| Compound ID |
CP0421631
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| Compound Name |
3-[4-[(5-fluoro-2-methoxyphenoxy)methyl]phenyl]propanoic acid
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| Formula |
C17H17FO4
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| Molecular Weight |
304.317
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| Canonical SMILES |
COc1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C17H17FO4/c1-21-15-8-7-14(18)10-16(15)22-11-13-4-2-12(3-5-13)6-9-17(19)20/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)
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| InChIKey |
IRSYGMGLIIMIBP-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: PT04427, Free fatty acid receptor 4