General Information of the Compound
| Compound ID |
CP0423367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[3-(2,6-dimethyl-4-phenylmethoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30O4
|
||||||||||||||||||
| Molecular Weight |
466.577
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30O4/c1-22-17-29(35-20-25-7-4-3-5-8-25)18-23(2)31(22)27-10-6-9-26(19-27)21-34-28-14-11-24(12-15-28)13-16-30(32)33/h3-12,14-15,17-19H,13,16,20-21H2,1-2H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQOMYZIIIPFSQJ-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