General Information of the Compound
| Compound ID |
CP0461457
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-methyl-2-(methylamino)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H14BrN3O3S
|
||||||||||||||||||
| Molecular Weight |
360.233
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc(C)cc1S(=O)(=O)Nc1onc(C)c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H14BrN3O3S/c1-7-4-5-9(14-3)10(6-7)20(17,18)16-12-11(13)8(2)15-19-12/h4-6,14,16H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPISXONXINCUAB-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor