| General Property |
| Molceule ID (DB) | EGIN0001042 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10f compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(prop-2-en-1-yl)amino]but-2-ynamide |
| Formula | C22H20BrN5O |
| Mass | 450.331 |
| Exact Mass | 449.0851229 |
| Composition | C (58.68%), H (4.48%), Br (17.74%), N (15.55%), O (3.55%) |
| Atom Count | 49 |
| PI | 9.7 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN(C)CC=C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H20BrN5O/c1-3-11-28(2)12-5-8-21(29)26-18-9-10-20-19(14-18)22(25-15-24-20)27-17-7-4-6-16(23)13-
17/h3-4,6-7,9-10,13-15H,1,11-12H2,2H3,(H,26,29)(H,24,25,27) |
| InChIKey | BFXGHOJOXUBCTO-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 | 11495584 |
| 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 |
5328959
|
| Drug Bank Link | - |
| ChemSpider Link | 4486121 |
| ChEMBL Link | CHEMBL414220 |
