General Information of the Compound
| Compound ID |
CP0727828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-propoxy}-phenyl)-thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31NO5S
|
||||||||||||||||||
| Molecular Weight |
553.68
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,31H,2,7-8,19-20H2,1H3,(H,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHEXZGKRUXYNQR-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