General Information of the Compound
| Compound ID |
CP0415618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[2-(2,6-dichlorophenyl)-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H21Cl2F3O3S
|
||||||||||||||||||
| Molecular Weight |
577.451
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(SC(Cc2c(Cl)cccc2Cl)c2ccc(cc2)-c2cc(F)c(F)c(F)c2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H21Cl2F3O3S/c1-16-11-20(9-10-26(16)37-15-28(35)36)38-27(14-21-22(30)3-2-4-23(21)31)18-7-5-17(6-8-18)19-12-24(32)29(34)25(33)13-19/h2-13,27H,14-15H2,1H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLQBPOZXOZBGDK-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