General Information of the Compound
| Compound ID |
CP0404373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[2-(2-chloro-6-fluorophenyl)-1-[4-(4-fluorophenyl)phenyl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23ClF2O3S
|
||||||||||||||||||
| Molecular Weight |
525.016
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(cc2)-c2ccc(F)cc2)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23ClF2O3S/c1-18-15-23(13-14-27(18)35-17-29(33)34)36-28(16-24-25(30)3-2-4-26(24)32)21-7-5-19(6-8-21)20-9-11-22(31)12-10-20/h2-15,28H,16-17H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBUJMSHBDZCHDN-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