General Information of the Compound
| Compound ID |
CP0541540
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| Compound Name |
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxylic acid
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| Structure |
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| Formula |
C16H8F4O4
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| Molecular Weight |
340.228
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| Canonical SMILES |
OC(=O)c1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C16H8F4O4/c17-12-3-2-10(24-16(18,19)20)7-11(12)8-1-4-13-9(5-8)6-14(23-13)15(21)22/h1-7H,(H,21,22)
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| InChIKey |
NOHHVIVIACXLHB-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: PT04427, Free fatty acid receptor 4
Protein ID: PT03121, Free fatty acid receptor 4