General Information of the Compound
| Compound ID |
CP0486908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[5-(2,6-dimethylphenyl)-2-methoxyphenyl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26O4
|
||||||||||||||||||
| Molecular Weight |
390.479
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1COc1ccc(CCC(O)=O)cc1)-c1c(C)cccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26O4/c1-17-5-4-6-18(2)25(17)20-10-13-23(28-3)21(15-20)16-29-22-11-7-19(8-12-22)9-14-24(26)27/h4-8,10-13,15H,9,14,16H2,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGBYTZIRKQLDCG-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1