| General Property |
| Molceule ID (DB) | EGIN0001525 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-2-methylbut-3-yn-2-ol |
| Formula | C19H15ClFN3O |
| Mass | 355.793 |
| Exact Mass | 355.088768 |
| Composition | C (64.14%), H (4.25%), Cl (9.96%), F (5.34%), N (11.81%), O (4.5%) |
| Atom Count | 40 |
| PI | 8.87 |
| Smiles | c12c(ccc(c1)C#CC(O)(C)C)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C19H15ClFN3O/c1-19(2,25)8-7-12-3-6-17-14(9-12)18(23-11-22-17)24-13-4-5-16(21)15(20)10-13/h3-6,9-1
1,25H,1-2H3,(H,22,23,24) |
| InChIKey | BRCXEKGENXSPDA-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 |
44442146
|
| Drug Bank Link | - |
| ChemSpider Link | 23306724 |
| ChEMBL Link | CHEMBL251497 |
