General Information of the Compound
| Compound ID |
CP0079947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 3-[4-[2-[6-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35NO7S
|
||||||||||||||||||
| Molecular Weight |
577.699
|
||||||||||||||||||
| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35NO7S/c1-5-38-29(31(34)39-6-2)19-22-9-12-25(13-10-22)40-16-15-33-28-14-11-23(20-30(28)41-32(33)35)7-8-24-17-26(36-3)21-27(18-24)37-4/h7-14,17-18,20-21,29H,5-6,15-16,19H2,1-4H3/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWEWCJIKBAXRBJ-BQYQJAHWSA-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: PT00915, Peroxisome proliferator-activated receptor gamma