General Information of the Compound
| Compound ID |
CP0150577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[2-[6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27NO7S
|
||||||||||||||||||
| Molecular Weight |
521.591
|
||||||||||||||||||
| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27NO7S/c1-2-35-25(27(32)33)15-18-5-8-23(9-6-18)36-12-11-29-24-10-7-19(16-26(24)37-28(29)34)3-4-20-13-21(30)17-22(31)14-20/h3-10,13-14,16-17,25,30-31H,2,11-12,15H2,1H3,(H,32,33)/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOJSIASZWVFVHS-ONEGZZNKSA-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