General Information of the Compound
| Compound ID |
CP0438829
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| Compound Name |
4-[4-(2,3-difluoro-5-methoxyphenyl)-2,6-difluorophenoxy]butanoic acid
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| Structure |
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| Formula |
C17H14F4O4
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| Molecular Weight |
358.287
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| Canonical SMILES |
COc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C17H14F4O4/c1-24-10-7-11(16(21)12(18)8-10)9-5-13(19)17(14(20)6-9)25-4-2-3-15(22)23/h5-8H,2-4H2,1H3,(H,22,23)
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| InChIKey |
IAXVCOGRQZEGJE-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