| General Property |
| Molceule ID (DB) | EGIN0000213 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-[4-(dimethylamino)butoxy]quinazolin-6-yl}prop-2-enamide |
| Formula | C23H26BrN5O2 |
| Mass | 484.389 |
| Exact Mass | 483.1269877 |
| Composition | C (57.03%), H (5.41%), Br (16.5%), N (14.46%), O (6.61%) |
| Atom Count | 57 |
| PI | 11.16 |
| Smiles | O=C(Nc1cc2c(cc1OCCCCN(C)C)ncnc2Nc1cccc(c1)Br)C=C |
| InChI | 1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16
(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27) |
| InChIKey | DKBAOZZHNYPUBZ-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 |
10600888
|
| Drug Bank Link | - |
| ChemSpider Link | 8776261 |
| ChEMBL Link | CHEMBL31588 |
