| General Property |
| Molceule ID (DB) | EGIN0001049 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10m compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(2-methoxyethoxy)but-2-ynamide |
| Formula | C21H19BrN4O3 |
| Mass | 455.305 |
| Exact Mass | 454.0640531 |
| Composition | C (55.4%), H (4.21%), Br (17.55%), N (12.31%), O (10.54%) |
| Atom Count | 48 |
| PI | 8.08 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOCCOC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C21H19BrN4O3/c1-28-10-11-29-9-3-6-20(27)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12
-16/h2,4-5,7-8,12-14H,9-11H2,1H3,(H,25,27)(H,23,24,26) |
| InChIKey | WGYDIWMVEHEUEZ-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 |
5328966
|
| Drug Bank Link | - |
| ChemSpider Link | 4486128 |
| ChEMBL Link | CHEMBL327838 |
