General Information of the Compound
| Compound ID |
CP0544867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methylsulfanyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F3NO5S
|
||||||||||||||||||
| Molecular Weight |
483.508
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NC(CSCc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F3NO5S/c1-22(2,3)32-21(31)27-18(20(29)30)13-33-12-14-4-6-15(7-5-14)19(28)16-8-10-17(11-9-16)23(24,25)26/h4-11,18H,12-13H2,1-3H3,(H,27,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMRVIUSTUAUIHY-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 | |||||||||||||||||||
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