General Information of the Compound
| Compound ID |
CP0415559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((4-(4-sec-Butoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28F3NO6S
|
||||||||||||||||||
| Molecular Weight |
587.616
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28F3NO6S/c1-4-19(3)39-22-9-5-20(6-10-22)28-29(21-7-11-23(12-8-21)40-30(31,32)33)41-26(34-28)16-37-24-13-14-25(18(2)15-24)38-17-27(35)36/h5-15,19H,4,16-17H2,1-3H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJSBHAFKMHNAMF-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