General Information of the Compound
| Compound ID |
CP0048252
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| Compound Name |
3-[5-(3-chloro-5-cyclobutyloxyphenyl)-1-benzofuran-2-yl]propanoic acid
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| Structure |
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| Formula |
C21H19ClO4
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| Molecular Weight |
370.832
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| Canonical SMILES |
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(Cl)cc(OC2CCC2)c1
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| InChI |
InChI=1S/C21H19ClO4/c22-16-9-14(10-19(12-16)25-17-2-1-3-17)13-4-6-20-15(8-13)11-18(26-20)5-7-21(23)24/h4,6,8-12,17H,1-3,5,7H2,(H,23,24)
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| InChIKey |
KLEOPTWEMLEDDG-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4