| General Property |
| Molceule ID (DB) | EGIN0001068 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(morpholin-4-ylmethyl)prop-2-enamide |
| Formula | C22H22BrN5O2 |
| Mass | 468.346 |
| Exact Mass | 467.0956876 |
| Composition | C (56.42%), H (4.73%), Br (17.06%), N (14.95%), O (6.83%) |
| Atom Count | 52 |
| PI | 10.21 |
| Smiles | c12c(ccc(c1)NC(=O)C(=C)CN1CCOCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H22BrN5O2/c1-15(13-28-7-9-30-10-8-28)22(29)27-18-5-6-20-19(12-18)21(25-14-24-20)26-17-4-2-3-16
(23)11-17/h2-6,11-12,14H,1,7-10,13H2,(H,27,29)(H,24,25,26) |
| InChIKey | VANCZLKVOHARGS-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 |
5328985
|
| Drug Bank Link | - |
| ChemSpider Link | 4486147 |
| ChEMBL Link | CHEMBL94066 |
