General Information of the Compound
| Compound ID |
CP0451332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-2,2-dimethylhexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N2O4
|
||||||||||||||||||
| Molecular Weight |
472.585
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(-c2ccc(cc2)-c2ccco2)n1Cc1ccccc1OCCCCC(C)(C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N2O4/c1-21-19-30-27(23-14-12-22(13-15-23)25-11-8-18-35-25)31(21)20-24-9-4-5-10-26(24)34-17-7-6-16-29(2,3)28(32)33/h4-5,8-15,18-19H,6-7,16-17,20H2,1-3H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIWWPCSJBHIOPF-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma