| General Property |
| Molceule ID (DB) | EGIN0001521 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | 3-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}prop-2-yn-1-ol |
| Formula | C17H11ClFN3O |
| Mass | 327.74 |
| Exact Mass | 327.0574679 |
| Composition | C (62.3%), H (3.38%), Cl (10.82%), F (5.8%), N (12.82%), O (4.88%) |
| Atom Count | 34 |
| PI | 9.05 |
| Smiles | c12c(ccc(c1)C#CCO)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C17H11ClFN3O/c18-14-9-12(4-5-15(14)19)22-17-13-8-11(2-1-7-23)3-6-16(13)20-10-21-17/h3-6,8-10,23H,
7H2,(H,20,21,22) |
| InChIKey | RWLVCMCVCFJFDU-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 |
24779710
|
| Drug Bank Link | - |
| ChemSpider Link | 23306712 |
| ChEMBL Link | CHEMBL249919 |
