General Information of the Compound
| Compound ID |
CP0384336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((4,5-bis(4-chlorophenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19Cl2NO4S
|
||||||||||||||||||
| Molecular Weight |
500.403
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19Cl2NO4S/c1-15-12-20(10-11-21(15)32-14-23(29)30)31-13-22-28-24(16-2-6-18(26)7-3-16)25(33-22)17-4-8-19(27)9-5-17/h2-12H,13-14H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSYOXBHBSASSPV-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