General Information of the Compound
| Compound ID |
CP0295054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[butyl-[5-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32ClNO5S
|
||||||||||||||||||
| Molecular Weight |
530.086
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVTKQJBNQKCSOL-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