General Information of the Compound
| Compound ID |
CP0436681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-2-[4-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]phenoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24O4
|
||||||||||||||||||
| Molecular Weight |
388.463
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1ccc(COc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24O4/c1-25(2,24(26)27)29-23-16-12-21(13-17-23)18-28-22-14-10-20(11-15-22)9-8-19-6-4-3-5-7-19/h3-17H,18H2,1-2H3,(H,26,27)/b9-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTRWPQTZGJZZRS-CMDGGOBGSA-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: PT00915, Peroxisome proliferator-activated receptor gamma