| General Property |
| Molceule ID (DB) | EGIN0000029 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]acetamide |
| Formula | C18H17ClFN5O2 |
| Mass | 389.811 |
| Exact Mass | 389.1054807 |
| Composition | C (55.46%), H (4.4%), Cl (9.09%), F (4.87%), N (17.97%), O (8.21%) |
| Atom Count | 44 |
| PI | 10.36 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CNCC(=O)N |
| InChI | 1S/C18H17ClFN5O2/c1-27-15-6-14-11(5-10(15)7-22-8-16(21)26)18(24-9-23-14)25-13-4-2-3-12(19)17(13)20/h
2-6,9,22H,7-8H2,1H3,(H2,21,26)(H,23,24,25) |
| InChIKey | MTOWNQVZQMSYHJ-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 | 16516473 |
| 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 |
11703801
|
| Drug Bank Link | - |
| ChemSpider Link | 9878524 |
| ChEMBL Link | CHEMBL379601 |
