General Property |
Molceule ID (DB) | EGIN0004770 |
Inhibitor Class | Nicotinamide |
Molecule Name in Refrence Article | 14 |
IUPAC Name | N-[(4-bromophenyl)sulfonyl]-2-chloropyridine-3-carboxamide |
Formula | C12H8BrClN2O3S |
Mass | 375.626 |
Exact Mass | 373.9127532 |
Composition | C (38.37%), H (2.15%), Br (21.27%), Cl (9.44%), N (7.46%), O (12.78%), S (8.54%) |
Atom Count | 28 |
PI | 2.03 |
Smiles | c1ccnc(c1C(=O)NS(=O)(=O)c1ccc(cc1)Br)Cl |
InChI | 1S/C12H8BrClN2O3S/c13-8-3-5-9(6-4-8)20(18,19)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17) |
InChIKey | YDDOZDHTXXOOJD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004770.png) | Structure Backbone | ![](./frame/f_EGIN0004770.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 |
57390936
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Drug Bank Link | - |
ChemSpider Link | 28477882 |
ChEMBL Link | CHEMBL1945452 |