General Information of the Compound
| Compound ID |
CP0395304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methoxy]-2-methylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H20F6N2O6
|
||||||||||||||||||
| Molecular Weight |
594.464
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCc2cc(nc(n2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H20F6N2O6/c1-16-12-22(10-11-24(16)40-15-25(37)38)39-14-19-13-23(17-2-6-20(7-3-17)41-27(29,30)31)36-26(35-19)18-4-8-21(9-5-18)42-28(32,33)34/h2-13H,14-15H2,1H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCUJVBGQGKKGBG-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