General Information of the Compound
| Compound ID |
CP0142828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[butyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32F3NO5S
|
||||||||||||||||||
| Molecular Weight |
563.638
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1cccc(c1C)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32F3NO5S/c1-6-7-17-33(39(36,37)27-16-15-26(18(2)19(27)3)38-21(5)28(34)35)25-10-8-9-24(20(25)4)22-11-13-23(14-12-22)29(30,31)32/h8-16,21H,6-7,17H2,1-5H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEMPWVKZHNFSQI-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