General Property |
Molceule ID (DB) | EGIN0004861 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 4 |
IUPAC Name | N-[(4-bromophenyl)sulfonyl]pyridine-3-carboxamide |
Formula | C12H9BrN2O3S |
Mass | 341.18 |
Exact Mass | 339.9517255 |
Composition | C (42.24%), H (2.66%), Br (23.42%), N (8.21%), O (14.07%), S (9.4%) |
Atom Count | 28 |
PI | 3.82 |
Smiles | c1ccncc1C(=O)NS(=O)(=O)c1ccc(cc1)Br |
InChI | 1S/C12H9BrN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-12(16)9-2-1-7-14-8-9/h1-8H,(H,15,16) |
InChIKey | PIJWTGYZAHWUSS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004861.png) | Structure Backbone | ![](./frame/f_EGIN0004861.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 22277588 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 28483558 |
ChEMBL Link | CHEMBL1916950 |