General Information of the Compound
| Compound ID |
CP0241891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32O4S
|
||||||||||||||||||
| Molecular Weight |
416.583
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUSRKEXXWGILRX-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: PT00915, Peroxisome proliferator-activated receptor gamma