| General Property |
| Molceule ID (DB) | EGIN0001527 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(piperidin-1-yl)prop-1-yn-1-yl]quinazolin-4-amine |
| Formula | C22H20ClFN4 |
| Mass | 394.872 |
| Exact Mass | 394.1360526 |
| Composition | C (66.92%), H (5.11%), Cl (8.98%), F (4.81%), N (14.19%) |
| Atom Count | 48 |
| PI | 11.87 |
| Smiles | c12c(ccc(c1)C#CCN1CCCCC1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H20ClFN4/c23-19-14-17(7-8-20(19)24)27-22-18-13-16(6-9-21(18)25-15-26-22)5-4-12-28-10-2-1-3-11-
28/h6-9,13-15H,1-3,10-12H2,(H,25,26,27) |
| InChIKey | VVYBHXQAVZOHKY-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 |
44442149
|
| Drug Bank Link | - |
| ChemSpider Link | 23306727 |
| ChEMBL Link | CHEMBL251700 |
