General Information of the Compound
| Compound ID |
CP0101286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N2O5
|
||||||||||||||||||
| Molecular Weight |
404.422
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N2O5/c1-25-21-13-19(30-18-8-4-6-16(12-18)28-2)9-10-20(21)24-22(25)14-29-17-7-3-5-15(11-17)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMTOFNPJCJQJKP-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: PT00915, Peroxisome proliferator-activated receptor gamma