General Property |
Molceule ID (DB) | EGIN0004779 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 13 |
IUPAC Name | 2-chloro-N-[(4-fluorophenyl)sulfonyl]pyridine-3-carboxamide |
Formula | C12H8ClFN2O3S |
Mass | 314.72 |
Exact Mass | 313.9928187 |
Composition | C (45.8%), H (2.56%), Cl (11.26%), F (6.04%), N (8.9%), O (15.25%), S (10.19%) |
Atom Count | 28 |
PI | 2.03 |
Smiles | c1ccnc(c1C(=O)NS(=O)(=O)c1ccc(cc1)F)Cl |
InChI | 1S/C12H8ClFN2O3S/c13-11-10(2-1-7-15-11)12(17)16-20(18,19)9-5-3-8(14)4-6-9/h1-7H,(H,16,17) |
InChIKey | LOAWUZNIQCYMAZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004779.png) | Structure Backbone | ![](./frame/f_EGIN0004779.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 |
57396219
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Drug Bank Link | - |
ChemSpider Link | 28477881 |
ChEMBL Link | CHEMBL1945451 |