| General Property |
| Molceule ID (DB) | EGIN0001225 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4a compound |
| IUPAC Name | 2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}acetamide |
| Formula | C16H10Cl3FN4O |
| Mass | 399.634 |
| Exact Mass | 397.9904223 |
| Composition | C (48.09%), H (2.52%), Cl (26.61%), F (4.75%), N (14.02%), O (4%) |
| Atom Count | 35 |
| PI | 8.28 |
| Smiles | c12c(ccc(c1)NC(=O)CCl)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,
6H2,(H,23,25)(H,21,22,24) |
| InChIKey | VBXDUSMRNQVJRO-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 | 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 |
9952784
|
| Drug Bank Link | - |
| ChemSpider Link | 8128394 |
| ChEMBL Link | CHEMBL275762 |
