General Information of the Compound
| Compound ID |
CP0402268
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((3-((2-(3-chloro-4-fluorophenyl)oxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18ClFN2O6
|
||||||||||||||||||
| Molecular Weight |
448.834
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)c(Cl)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18ClFN2O6/c1-29-21(28)25(10-19(26)27)9-13-3-2-4-16(7-13)30-11-15-12-31-20(24-15)14-5-6-18(23)17(22)8-14/h2-8,12H,9-11H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LVXIISQGZIACJF-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: PT00915, Peroxisome proliferator-activated receptor gamma