General Information of the Compound
| Compound ID |
CP0471676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[6-(2-methoxypyridin-4-yl)oxy-1-methyl-4-propan-2-yloxybenzimidazol-2-yl]methoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25N3O6
|
||||||||||||||||||
| Molecular Weight |
463.49
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Oc2cc(OC(C)C)c3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O6/c1-15(2)33-21-12-19(34-18-8-9-26-23(13-18)31-4)11-20-24(21)27-22(28(20)3)14-32-17-7-5-6-16(10-17)25(29)30/h5-13,15H,14H2,1-4H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAPHOLUHFJROOR-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 | |||||||||||||||||||
| 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