| General Property |
| Molceule ID (DB) | EGIN0000301 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-5-(morpholin-4-yl)pent-2-ynamide |
| Formula | C23H21ClFN5O2 |
| Mass | 453.897 |
| Exact Mass | 453.1367809 |
| Composition | C (60.86%), H (4.66%), Cl (7.81%), F (4.19%), N (15.43%), O (7.05%) |
| Atom Count | 53 |
| PI | 9.17 |
| Smiles | C(N1CCOCC1)CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C23H21ClFN5O2/c24-19-14-17(4-6-20(19)25)29-23-18-13-16(5-7-21(18)26-15-27-23)28-22(31)3-1-2-8-30-
9-11-32-12-10-30/h4-7,13-15H,2,8-12H2,(H,28,31)(H,26,27,29) |
| InChIKey | OETCDAITXCDXIB-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 | 16480284 |
| 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 |
11590557
|
| Drug Bank Link | - |
| ChemSpider Link | 9765320 |
| ChEMBL Link | CHEMBL204085 |
