| General Property |
| Molceule ID (DB) | EGIN0000294 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide |
| Formula | C18H13BrN4O |
| Mass | 381.226 |
| Exact Mass | 380.0272737 |
| Composition | C (56.71%), H (3.44%), Br (20.96%), N (14.7%), O (4.2%) |
| Atom Count | 37 |
| PI | 8.1 |
| Smiles | c12c(ccc(c1)NC(=O)C#CC)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3
,(H,22,24)(H,20,21,23) |
| InChIKey | BTYYWOYVBXILOJ-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 | 8632415 | 10639288 | 11495584 | 16480284 | 10086326 | |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 2674 |
| ChEMBL Link | CHEMBL91867 |
