| General Property |
| Molceule ID (DB) | EGIN0001229 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5a (ML04) |
| IUPAC Name | (2E)-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C20H18Cl2FN5O |
| Mass | 434.294 |
| Exact Mass | 433.0872438 |
| Composition | C (55.31%), H (4.18%), Cl (16.33%), F (4.37%), N (16.13%), O (3.68%) |
| Atom Count | 47 |
| PI | 10.89 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(1
8)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+ |
| InChIKey | XDYCDXFDVOBDOO-ONEGZZNKSA-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 | 16078851 | 17574425 | |
| 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 |
21080010
|
| Drug Bank Link | - |
| ChemSpider Link | 19887912 |
| ChEMBL Link | CHEMBL190094 |
