General Information of the Compound
| Compound ID |
CP0373956
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((4-(4-(Pyrrolidin-1-yl)phenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27F3N2O5S
|
||||||||||||||||||
| Molecular Weight |
584.616
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(cc2)N2CCCC2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F3N2O5S/c1-19-16-24(12-13-25(19)39-18-27(36)37)38-17-26-34-28(20-4-8-22(9-5-20)35-14-2-3-15-35)29(41-26)21-6-10-23(11-7-21)40-30(31,32)33/h4-13,16H,2-3,14-15,17-18H2,1H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYVNUSLWILXKJP-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