| General Property |
| Molceule ID (DB) | EGIN0000215 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-{[3-(diethylamino)propyl]sulfanyl}quinazolin-6-yl}prop-2-enamide |
| Formula | C24H28BrN5OS |
| Mass | 514.481 |
| Exact Mass | 513.1197939 |
| Composition | C (56.03%), H (5.49%), Br (15.53%), N (13.61%), O (3.11%), S (6.23%) |
| Atom Count | 60 |
| PI | 11.55 |
| Smiles | O=C(Nc1cc2c(cc1SCCCN(CC)CC)ncnc2Nc1cccc(c1)Br)C=C |
| InChI | 1S/C24H28BrN5OS/c1-4-23(31)29-21-14-19-20(15-22(21)32-12-8-11-30(5-2)6-3)26-16-27-24(19)28-18-10-7-9
-17(25)13-18/h4,7,9-10,13-16H,1,5-6,8,11-12H2,2-3H3,(H,29,31)(H,26,27,28) |
| InChIKey | DHTCKGXFZBUXRM-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 | 10753475 | 10956451 | |
| 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 |
10815675
|
| Drug Bank Link | - |
| ChemSpider Link | 8990980 |
| ChEMBL Link | CHEMBL31326 |
