| General Property |
| Molceule ID (DB) | EGIN0001047 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10k compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamide |
| Formula | C24H25BrN6O |
| Mass | 493.399 |
| Exact Mass | 492.1273221 |
| Composition | C (58.42%), H (5.11%), Br (16.19%), N (17.03%), O (3.24%) |
| Atom Count | 57 |
| PI | 10.25 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1CCN(CC1)CC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H25BrN6O/c1-2-30-11-13-31(14-12-30)10-4-7-23(32)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3
-5-18(25)15-19/h3,5-6,8-9,15-17H,2,10-14H2,1H3,(H,28,32)(H,26,27,29) |
| InChIKey | JEZCURNCWCILAV-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 |
5328964
|
| Drug Bank Link | - |
| ChemSpider Link | 4486126 |
| ChEMBL Link | CHEMBL92356 |
