General Information of the Compound
| Compound ID |
CP0441016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-2-[6-(5-methyl-2-phenyl-1,3-oxazol-4-yl)hexoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27NO4
|
||||||||||||||||||
| Molecular Weight |
345.439
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCCCCCOC(C)(C)C(O)=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27NO4/c1-15-17(21-18(25-15)16-11-7-6-8-12-16)13-9-4-5-10-14-24-20(2,3)19(22)23/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHJXSWUPBIHUER-UHFFFAOYSA-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma