General Information of the Compound
| Compound ID |
CP0079948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 3-[4-[2-[6-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28F3NO8S
|
||||||||||||||||||
| Molecular Weight |
631.625
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)\C=C\c2cc(O)cc(O)c2)cc1)OCC(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F3NO8S/c1-2-41-29(39)27(43-18-31(32,33)34)15-19-3-7-24(8-4-19)42-12-11-35-25-9-6-21(16-28(25)44-30(35)40)26(38)10-5-20-13-22(36)17-23(37)14-20/h3-10,13-14,16-17,27,36-37H,2,11-12,15,18H2,1H3/b10-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBNYIGITJUMIMH-BJMVGYQFSA-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