| General Property |
| Molceule ID (DB) | EGIN0004710 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(4-chlorophenyl)prop-2-enamide |
| Formula | C23H16BrClN4O |
| Mass | 479.756 |
| Exact Mass | 478.0196015 |
| Composition | C (57.58%), H (3.36%), Br (16.66%), Cl (7.39%), N (11.68%), O (3.33%) |
| Atom Count | 46 |
| PI | 9.12 |
| Smiles | c1(ccc(cc1)Cl)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
| InChI | 1S/C23H16BrClN4O/c24-16-2-1-3-18(12-16)29-23-20-13-19(9-10-21(20)26-14-27-23)28-22(30)11-6-15-4-7-17
(25)8-5-15/h1-14H,(H,28,30)(H,26,27,29)/b11-6+ |
| InChIKey | NYUBSZCKSGQPEM-IZZDOVSWSA-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 | 21763148 |
| 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 |
56676436
|
| Drug Bank Link | - |
| ChemSpider Link | 26629217 |
| ChEMBL Link | CHEMBL1812431 |
