General Property |
Molceule ID (DB) | EGIN0004789 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 12 |
IUPAC Name | 2-chloro-N-[(4-methylphenyl)sulfonyl]pyridine-3-carboxamide |
Formula | C13H11ClN2O3S |
Mass | 310.756 |
Exact Mass | 310.0178906 |
Composition | C (50.24%), H (3.57%), Cl (11.41%), N (9.01%), O (15.45%), S (10.32%) |
Atom Count | 31 |
PI | 2.03 |
Smiles | c1ccnc(c1C(=O)NS(=O)(=O)c1ccc(cc1)C)Cl |
InChI | 1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17) |
InChIKey | ZDXJEAOWBMHNTI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004789.png) | Structure Backbone | ![](./frame/f_EGIN0004789.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 |
57396218
|
Drug Bank Link | - |
ChemSpider Link | 28477880 |
ChEMBL Link | CHEMBL1945450 |