General Information of the Compound
| Compound ID |
CP0374297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((4-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)ethoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27ClN2O6
|
||||||||||||||||||
| Molecular Weight |
534.996
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27ClN2O6/c1-19-3-11-25(12-4-19)38-29(35)32(18-27(33)34)17-21-5-13-24(14-6-21)36-16-15-26-20(2)37-28(31-26)22-7-9-23(30)10-8-22/h3-14H,15-18H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNBMJPHGJSBCGA-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