General Information of the Compound
| Compound ID |
CP0559505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C28H25ClO6
|
||||||||||||||||||
| Molecular Weight |
492.955
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(Cl)cc2)cc(C)c1OC(C)(C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25ClO6/c1-16-11-19(12-17(2)26(16)35-28(3,4)27(31)32)15-33-21-9-10-22-23(14-21)34-24(25(22)30)13-18-5-7-20(29)8-6-18/h5-14H,15H2,1-4H3,(H,31,32)/b24-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYJCFXHKNKIJEJ-CFRMEGHHSA-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