General Information of the Compound
| Compound ID |
CP0430580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)propoxy)-3-chlorophenyl)acetic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26ClNO6S2
|
||||||||||||||||||
| Molecular Weight |
572.104
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClNO6S2/c1-33-20-8-4-18(5-9-20)26-27(19-6-10-21(34-2)11-7-19)38-28(30-26)37-15-3-14-35-24-13-12-22(16-23(24)29)36-17-25(31)32/h4-13,16H,3,14-15,17H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAHDVQMSSOLLAS-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