| General Property |
| Molceule ID (DB) | EGIN0004816 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(dimethylamino)-N-methylpropanamide |
| Formula | C20H22BrN5O |
| Mass | 428.326 |
| Exact Mass | 427.100773 |
| Composition | C (56.08%), H (5.18%), Br (18.65%), N (16.35%), O (3.74%) |
| Atom Count | 49 |
| PI | 12.41 |
| Smiles | c1c(ccc2c1c(ncn2)Nc1cccc(c1)Br)N(C(=O)CCN(C)C)C |
| InChI | 1S/C20H22BrN5O/c1-25(2)10-9-19(27)26(3)16-7-8-18-17(12-16)20(23-13-22-18)24-15-6-4-5-14(21)11-15/h4-
8,11-13H,9-10H2,1-3H3,(H,22,23,24) |
| InChIKey | WDOOPIKZEIHEIG-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 | 22280453 |
| 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 | 28511566 |
| ChEMBL Link | - |
