General Information of the Compound
| Compound ID |
CP0082061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenoxy}-2-methyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32O6
|
||||||||||||||||||
| Molecular Weight |
476.569
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILHLGCBMPLPUEJ-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma