| General Property |
| Molceule ID (DB) | EGIN0002523 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | (2E)-N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C22H20BrN5O |
| Mass | 450.331 |
| Exact Mass | 449.0851229 |
| Composition | C (58.68%), H (4.48%), Br (17.74%), N (15.55%), O (3.55%) |
| Atom Count | 49 |
| PI | 11.45 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-
17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+ |
| InChIKey | XHVSLCCGZVJESA-QPJJXVBHSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 21130659 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MLCK | |
| Pub Chem Link |
53316491
|
| Drug Bank Link | - |
| ChemSpider Link | 26379213 |
| ChEMBL Link | CHEMBL1641990 |
