General Information of the Compound
| Compound ID |
CP0522506
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| Compound Name |
2-[3-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]acetic acid
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| Structure |
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| Formula |
C25H24O3
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| Molecular Weight |
372.464
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)Cc3c2)c1
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| InChI |
InChI=1S/C25H24O3/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)15-28-22-9-10-23-20(13-22)12-21(23)14-24(26)27/h3-11,13,21H,12,14-15H2,1-2H3,(H,26,27)
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| InChIKey |
STMQJGCAFZYVJO-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: PT02522, Free fatty acid receptor 1