General Information of the Compound
| Compound ID |
CP0444071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[(2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C30H30O7
|
||||||||||||||||||
| Molecular Weight |
502.563
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(\C=C2/Oc3cc(OCc4cc(C)c(OC(C)(C)C(O)=O)c(C)c4)ccc3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30O7/c1-6-34-22-9-7-20(8-10-22)15-26-27(31)24-12-11-23(16-25(24)36-26)35-17-21-13-18(2)28(19(3)14-21)37-30(4,5)29(32)33/h7-16H,6,17H2,1-5H3,(H,32,33)/b26-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSPRSLKDBVOOEP-YSMPRRRNSA-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 | |||||||||||||||||||
| 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