General Information of the Compound
| Compound ID |
CP0447100
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| Compound Name |
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
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| InChI |
InChI=1S/C25H27NO4/c1-4-29-22(14-24(27)28)21-11-12-23(26-15-21)30-16-19-9-6-10-20(13-19)25-17(2)7-5-8-18(25)3/h5-13,15,22H,4,14,16H2,1-3H3,(H,27,28)
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| InChIKey |
LVYLRAFWECKTKT-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