General Information of the Compound
| Compound ID |
CP0425684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N3O4
|
||||||||||||||||||
| Molecular Weight |
375.384
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3cccnc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N3O4/c1-24-19-11-16(28-17-6-3-9-22-12-17)7-8-18(19)23-20(24)13-27-15-5-2-4-14(10-15)21(25)26/h2-12H,13H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QINVEDAVMNJBEJ-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