General Information of the Compound
| Compound ID |
CP0544331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2,6-dimethyl-4-[(Z)-[6-(2-methylpropoxy)-3-oxo-1-benzofuran-2-ylidene]methyl]phenoxy]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28O6
|
||||||||||||||||||
| Molecular Weight |
424.493
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccc2C(=O)\C(Oc2c1)=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28O6/c1-14(2)13-29-18-7-8-19-20(12-18)30-21(22(19)26)11-17-9-15(3)23(16(4)10-17)31-25(5,6)24(27)28/h7-12,14H,13H2,1-6H3,(H,27,28)/b21-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOTLVAPQQJMMEH-NHDPSOOVSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma