General Information of the Compound
| Compound ID |
CP0441191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(3-((E)-1-(4-Trifluoromethylbenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3NO4
|
||||||||||||||||||
| Molecular Weight |
409.404
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3NO4/c1-3-28-19(20(26)27)12-16-5-4-6-17(11-16)14(2)25-29-13-15-7-9-18(10-8-15)21(22,23)24/h4-11,19H,3,12-13H2,1-2H3,(H,26,27)/b25-14+/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONGCOQNJTQPHEJ-CPUXBYDOSA-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