General Information of the Compound
| Compound ID |
CP0261716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-((2-ethyl-4-(trifluoromethyl)benzamido)methyl)phenoxy)-2-methylphenoxy)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28F3NO5
|
||||||||||||||||||
| Molecular Weight |
515.528
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28F3NO5/c1-5-19-15-20(28(29,30)31)9-11-23(19)25(33)32-16-18-7-6-8-21(14-18)36-22-10-12-24(17(2)13-22)37-27(3,4)26(34)35/h6-15H,5,16H2,1-4H3,(H,32,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVFYJVGNRKVVMI-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