General Property |
Molceule ID (DB) | EGIN0004843 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 6 |
IUPAC Name | N-(benzenesulfonyl)-5-bromopyridine-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 | 3.03 |
Smiles | c1c(cncc1C(=O)NS(=O)(=O)c1ccccc1)Br |
InChI | 1S/C12H9BrN2O3S/c13-10-6-9(7-14-8-10)12(16)15-19(17,18)11-4-2-1-3-5-11/h1-8H,(H,15,16) |
InChIKey | ZMLVLVFCAIYATF-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
4677622
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Drug Bank Link | - |
ChemSpider Link | 3865907 |
ChEMBL Link | CHEMBL1945444 |