General Information of the Compound
| Compound ID |
CP0429332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-2-methyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F3NO4
|
||||||||||||||||||
| Molecular Weight |
395.377
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(C)C(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3NO4/c1-12(19(26)27)9-14-5-8-17(28-2)16(10-14)18(25)24-11-13-3-6-15(7-4-13)20(21,22)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTINKAOSIRSUBX-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