General Information of the Compound
| Compound ID |
CP0389852
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| Compound Name |
6-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C30H34O5
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| Molecular Weight |
474.597
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| Canonical SMILES |
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CCc3c2)C(O)=O)c1
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| InChI |
InChI=1S/C30H34O5/c1-4-33-12-13-34-28-14-20(2)29(21(3)15-28)25-7-5-6-22(16-25)19-35-27-11-10-23-17-26(30(31)32)9-8-24(23)18-27/h5-7,10-11,14-16,18,26H,4,8-9,12-13,17,19H2,1-3H3,(H,31,32)
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| InChIKey |
JQKZHQURTKMBJT-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