| General Property |
| Molceule ID (DB) | EGIN0004032 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}-2-methoxyacetamide |
| Formula | C17H13Cl2FN4O2 |
| Mass | 395.215 |
| Exact Mass | 394.0399593 |
| Composition | C (51.66%), H (3.32%), Cl (17.94%), F (4.81%), N (14.18%), O (8.1%) |
| Atom Count | 39 |
| PI | 8.19 |
| Smiles | c1(c2c(ncn1)ccc(c2)NC(=O)COC)Nc1cc(c(cc1F)Cl)Cl |
| InChI | 1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6
,8H,7H2,1H3,(H,23,25)(H,21,22,24) |
| InChIKey | BOTQXVZWXJGWAV-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 |
| 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 |
10385997
|
| Drug Bank Link | - |
| ChemSpider Link | 8561439 |
| ChEMBL Link | CHEMBL190651 |
