| General Property |
| Molceule ID (DB) | EGIN0000387 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-ynamide |
| Formula | C23H20BrN5O2 |
| Mass | 478.341 |
| Exact Mass | 477.0800376 |
| Composition | C (57.75%), H (4.21%), Br (16.7%), N (14.64%), O (6.69%) |
| Atom Count | 51 |
| PI | 9.28 |
| Smiles | c12c(cc(c(c1)NC(=O)C#CCN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16
(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30) |
| InChIKey | XVHPHLVYCRDHSU-UHFFFAOYSA-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 | 12502359 |
| 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 |
10906920
|
| Drug Bank Link | - |
| ChemSpider Link | 9082179 |
| ChEMBL Link | CHEMBL116853 |
