General Information of the Compound
| Compound ID |
CP0399442
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| Compound Name |
3-[4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C25H26O3
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| Molecular Weight |
374.48
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1C
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| InChI |
InChI=1S/C25H26O3/c1-17-6-4-7-18(2)25(17)23-9-5-8-21(19(23)3)16-28-22-13-10-20(11-14-22)12-15-24(26)27/h4-11,13-14H,12,15-16H2,1-3H3,(H,26,27)
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| InChIKey |
OAAMFTHKHYYBET-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