General Information of the Compound
| Compound ID |
CP0476740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-methyl-2-(3-(2-(2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)vinyl)phenoxy)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N2O4
|
||||||||||||||||||
| Molecular Weight |
440.499
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)c1nc2ccccc2n1\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N2O4/c1-18-11-13-20(14-12-18)24(30)25-28-22-9-4-5-10-23(22)29(25)16-15-19-7-6-8-21(17-19)33-27(2,3)26(31)32/h4-17H,1-3H3,(H,31,32)/b16-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIOTXDQBVLNGIE-FOCLMDBBSA-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