General Information of the Compound
| Compound ID |
CP0384219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(3-((E)-1-(4-(tert-Butylbenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31NO4
|
||||||||||||||||||
| Molecular Weight |
397.515
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccc(cc1)C(C)(C)C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31NO4/c1-6-28-22(23(26)27)15-19-8-7-9-20(14-19)17(2)25-29-16-18-10-12-21(13-11-18)24(3,4)5/h7-14,22H,6,15-16H2,1-5H3,(H,26,27)/b25-17+/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNLLYXSXZYBJED-ALAMRGAJSA-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