General Information of the Compound
| Compound ID |
CP0446570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-2-methylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO5S2
|
||||||||||||||||||
| Molecular Weight |
493.606
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(Sc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO5S2/c1-16-14-21(12-13-22(16)32-15-23(28)29)33-26-27-24(17-4-8-19(30-2)9-5-17)25(34-26)18-6-10-20(31-3)11-7-18/h4-14H,15H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWWBIVKEAWOPAG-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