General Property |
Molceule ID (DB) | EGIN0004823 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 8 |
IUPAC Name | 5-bromo-N-[(4-fluorophenyl)sulfonyl]pyridine-3-carboxamide |
Formula | C12H8BrFN2O3S |
Mass | 359.171 |
Exact Mass | 357.9423037 |
Composition | C (40.13%), H (2.25%), Br (22.25%), F (5.29%), N (7.8%), O (13.36%), S (8.93%) |
Atom Count | 28 |
PI | 3.04 |
Smiles | c1c(cncc1C(=O)NS(=O)(=O)c1ccc(cc1)F)Br |
InChI | 1S/C12H8BrFN2O3S/c13-9-5-8(6-15-7-9)12(17)16-20(18,19)11-3-1-10(14)2-4-11/h1-7H,(H,16,17) |
InChIKey | JNTAUNZKYOUARJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004823.png) | Structure Backbone | ![](./frame/f_EGIN0004823.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 |
47232283
|
Drug Bank Link | - |
ChemSpider Link | 28480218 |
ChEMBL Link | CHEMBL1945446 |