| General Property |
| Molceule ID (DB) | EGIN0000209 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | N-[4-({3-bromo-4-[(dimethylamino)methyl]phenyl}amino)quinazolin-6-yl]prop-2-enamide |
| Formula | C20H20BrN5O |
| Mass | 426.31 |
| Exact Mass | 425.0851229 |
| Composition | C (56.35%), H (4.73%), Br (18.74%), N (16.43%), O (3.75%) |
| Atom Count | 47 |
| PI | 10.84 |
| Smiles | c12c(ccc(c1)NC(=O)C=C)ncnc2Nc1cc(c(cc1)CN(C)C)Br |
| InChI | 1S/C20H20BrN5O/c1-4-19(27)24-14-7-8-18-16(9-14)20(23-12-22-18)25-15-6-5-13(11-26(2)3)17(21)10-15/h4-
10,12H,1,11H2,2-3H3,(H,24,27)(H,22,23,25) |
| InChIKey | MWAIFRUFCZCDIF-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 |
10670094
|
| Drug Bank Link | - |
| ChemSpider Link | 8845446 |
| ChEMBL Link | CHEMBL283201 |
