General Information of the Compound
| Compound ID |
CP0506908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Cyano-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H11N3O3S
|
||||||||||||||||||
| Molecular Weight |
277.305
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccc(cc2)C#N)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11N3O3S/c1-8-9(2)14-18-12(8)15-19(16,17)11-5-3-10(7-13)4-6-11/h3-6,15H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOZSDSQUJKFDJF-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