| General Property |
| Molceule ID (DB) | EGIN0000914 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-N'-[3-(dimethylamino)propyl]but-2-enediamide |
| Formula | C23H25BrN6O2 |
| Mass | 497.388 |
| Exact Mass | 496.1222367 |
| Composition | C (55.54%), H (5.07%), Br (16.06%), N (16.9%), O (6.43%) |
| Atom Count | 57 |
| PI | 11.73 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)NCCCN(C)C |
| InChI | 1S/C23H25BrN6O2/c1-30(2)12-4-11-25-21(31)9-10-22(32)28-18-7-8-20-19(14-18)23(27-15-26-20)29-17-6-3-5
-16(24)13-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,25,31)(H,28,32)(H,26,27,29)/b10-9+ |
| InChIKey | JKAXXKYYTNYYGM-MDZDMXLPSA-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 | 11462982 |
| 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 |
5329086
|
| Drug Bank Link | - |
| ChemSpider Link | 4486248 |
| ChEMBL Link | CHEMBL345109 |
