| General Property |
| Molceule ID (DB) | EGIN0001221 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | ML03 |
| IUPAC Name | N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}prop-2-enamide |
| Formula | C17H11Cl2FN4O |
| Mass | 377.2 |
| Exact Mass | 376.0293946 |
| Composition | C (54.13%), H (2.94%), Cl (18.8%), F (5.04%), N (14.85%), O (4.24%) |
| Atom Count | 36 |
| PI | 8.42 |
| Smiles | c12c(ccc(c1)NC(=O)C=C)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C17H11Cl2FN4O/c1-2-16(25)23-9-3-4-14-10(5-9)17(22-8-21-14)24-15-7-12(19)11(18)6-13(15)20/h2-8H,1H
2,(H,23,25)(H,21,22,24) |
| InChIKey | BYJCHKAVUQQEQZ-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 | 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 |
10362209
|
| Drug Bank Link | - |
| ChemSpider Link | 8537658 |
| ChEMBL Link | CHEMBL363815 |
