General Information of the Compound
| Compound ID |
CP0654730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-(3-(4-phenoxy-2-propylphenoxy)propoxy)phenyl)thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27NO5S
|
||||||||||||||||||
| Molecular Weight |
477.582
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,25H,2,6-7,16-17H2,1H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOLZZGVVIXBCSY-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