General Information of the Compound
| Compound ID |
CP0400397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methyl-4-((4-(pyridin-3-yl)-5-p-tolylthiazol-2-yl)methoxy)phenoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22N2O4S
|
||||||||||||||||||
| Molecular Weight |
446.528
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22N2O4S/c1-16-5-7-18(8-6-16)25-24(19-4-3-11-26-13-19)27-22(32-25)14-30-20-9-10-21(17(2)12-20)31-15-23(28)29/h3-13H,14-15H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBWICHRTPIGAMI-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma