| General Property |
| Molceule ID (DB) | EGIN0001224 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | (2E)-4-(dimethylamino)-N-{4-[(3-iodophenyl)amino]quinazolin-6-yl}but-2-enamide |
| Formula | C20H20IN5O |
| Mass | 473.3102 |
| Exact Mass | 473.0712537 |
| Composition | C (50.75%), H (4.26%), I (26.81%), N (14.8%), O (3.38%) |
| Atom Count | 47 |
| PI | 11.57 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncnc2Nc1cccc(c1)I |
| InChI | 1S/C20H20IN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9
,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+ |
| InChIKey | MCFYGOURGHBNOM-QPJJXVBHSA-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 | 15093817 | 15186828 | 16078851 | |
| 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 |
21080015
|
| Drug Bank Link | - |
| ChemSpider Link | 19887918 |
| ChEMBL Link | CHEMBL189779 |
