General Information of the Compound
| Compound ID |
CP0374836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-methyl-4-[[3-[4-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H22F6O5
|
||||||||||||||||||
| Molecular Weight |
576.489
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(OC(F)(F)F)cc2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22F6O5/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)41-30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRWPNLNKDRQTGQ-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