General Information of the Compound
| Compound ID |
CP0463084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(3-{(2-Cyclopropyl-3-[1,2,4]oxadiazol-3-yl-phenyl)-[2-(4-trifluoromethyl-phenyl)-acetyl]-amino}-propyl)-phenoxy]-2-methyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H32F3N3O5
|
||||||||||||||||||
| Molecular Weight |
607.629
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1cccc(CCCN(C(=O)Cc2ccc(cc2)C(F)(F)F)c2cccc(-c3ncon3)c2C2CC2)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32F3N3O5/c1-32(2,31(41)42)44-25-8-3-6-21(18-25)7-5-17-39(28(40)19-22-11-15-24(16-12-22)33(34,35)36)27-10-4-9-26(29(27)23-13-14-23)30-37-20-43-38-30/h3-4,6,8-12,15-16,18,20,23H,5,7,13-14,17,19H2,1-2H3,(H,41,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRDLDJLGHRTHHG-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