| General Property |
| Molceule ID (DB) | EGIN0004041 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9a compound |
| IUPAC Name | N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(4-methylpiperazin-1-yl)quinazolin-6-yl}prop-2-enamide |
| Formula | C22H21Cl2FN6O |
| Mass | 475.346 |
| Exact Mass | 474.1137929 |
| Composition | C (55.59%), H (4.45%), Cl (14.92%), F (4%), N (17.68%), O (3.37%) |
| Atom Count | 53 |
| PI | 10.25 |
| Smiles | c12c(Nc3cc(c(cc3F)Cl)Cl)ncnc2cc(c(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C22H21Cl2FN6O/c1-3-21(32)28-19-8-13-17(11-20(19)31-6-4-30(2)5-7-31)26-12-27-22(13)29-18-10-15(24)
14(23)9-16(18)25/h3,8-12H,1,4-7H2,2H3,(H,28,32)(H,26,27,29) |
| InChIKey | HRFSIOJQIYPVAI-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 |
11420132
|
| Drug Bank Link | - |
| ChemSpider Link | 9595018 |
| ChEMBL Link | CHEMBL372246 |
