General Information of the Compound
| Compound ID |
CP0048251
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| Compound Name |
3-[5-(3-cyclobutyloxy-5-methylphenyl)-1-benzofuran-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H22O4
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| Molecular Weight |
350.414
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| Canonical SMILES |
Cc1cc(OC2CCC2)cc(c1)-c1ccc2oc(CCC(O)=O)cc2c1
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| InChI |
InChI=1S/C22H22O4/c1-14-9-16(12-20(10-14)25-18-3-2-4-18)15-5-7-21-17(11-15)13-19(26-21)6-8-22(23)24/h5,7,9-13,18H,2-4,6,8H2,1H3,(H,23,24)
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| InChIKey |
ONECIFACQAJVRO-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