| General Property |
| Molceule ID (DB) | EGIN0000299 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-4-(morpholin-4-yl)but-2-ynamide |
| Formula | C22H19ClFN5O2 |
| Mass | 439.87 |
| Exact Mass | 439.1211308 |
| Composition | C (60.07%), H (4.35%), Cl (8.06%), F (4.32%), N (15.92%), O (7.27%) |
| Atom Count | 50 |
| PI | 8.8 |
| Smiles | N1(CCOCC1)CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H19ClFN5O2/c23-18-13-16(3-5-19(18)24)28-22-17-12-15(4-6-20(17)25-14-26-22)27-21(30)2-1-7-29-8-
10-31-11-9-29/h3-6,12-14H,7-11H2,(H,27,30)(H,25,26,28) |
| InChIKey | TURWKCNNQKWOTA-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 |
11503073
|
| Drug Bank Link | - |
| ChemSpider Link | 9677875 |
| ChEMBL Link | CHEMBL202621 |
