| General Property |
| Molceule ID (DB) | EGIN0001519 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(2-phenylethynyl)quinazolin-4-amine |
| Formula | C22H13ClFN3 |
| Mass | 373.81 |
| Exact Mass | 373.0782033 |
| Composition | C (70.69%), H (3.51%), Cl (9.48%), F (5.08%), N (11.24%) |
| Atom Count | 40 |
| PI | 9.92 |
| Smiles | c12c(ccc(c1)C#Cc1ccccc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H13ClFN3/c23-19-13-17(9-10-20(19)24)27-22-18-12-16(8-11-21(18)25-14-26-22)7-6-15-4-2-1-3-5-15/
h1-5,8-14H,(H,25,26,27) |
| InChIKey | AFYKJRQINKZASH-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 |
44442129
|
| Drug Bank Link | - |
| ChemSpider Link | 23306706 |
| ChEMBL Link | CHEMBL249511 |
