| General Property |
| Molceule ID (DB) | EGIN0001526 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(morpholin-4-yl)prop-1-yn-1-yl]quinazolin-4-amine |
| Formula | C21H18ClFN4O |
| Mass | 396.845 |
| Exact Mass | 396.1153171 |
| Composition | C (63.56%), H (4.57%), Cl (8.93%), F (4.79%), N (14.12%), O (4.03%) |
| Atom Count | 46 |
| PI | 10.77 |
| Smiles | c12c(ccc(c1)C#CCN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C21H18ClFN4O/c22-18-13-16(4-5-19(18)23)26-21-17-12-15(3-6-20(17)24-14-25-21)2-1-7-27-8-10-28-11-9
-27/h3-6,12-14H,7-11H2,(H,24,25,26) |
| InChIKey | UMHMHOVNVKCQES-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 | 17889528 |
| 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 |
44442147
|
| Drug Bank Link | - |
| ChemSpider Link | 23306725 |
| ChEMBL Link | CHEMBL251498 |
