| General Property |
| Molceule ID (DB) | EGIN0001050 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10n compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(methoxymethoxy)but-2-ynamide |
| Formula | C20H17BrN4O3 |
| Mass | 441.278 |
| Exact Mass | 440.0484031 |
| Composition | C (54.44%), H (3.88%), Br (18.11%), N (12.7%), O (10.88%) |
| Atom Count | 45 |
| PI | 8.08 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOCOC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C20H17BrN4O3/c1-27-13-28-9-3-6-19(26)24-16-7-8-18-17(11-16)20(23-12-22-18)25-15-5-2-4-14(21)10-15
/h2,4-5,7-8,10-12H,9,13H2,1H3,(H,24,26)(H,22,23,25) |
| InChIKey | UCKKZOCKASQMFK-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 |
5328967
|
| Drug Bank Link | - |
| ChemSpider Link | 4486129 |
| ChEMBL Link | CHEMBL93049 |
