| General Property |
| Molceule ID (DB) | EGIN0000295 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-4-hydroxybut-2-ynamide |
| Formula | C18H12ClFN4O2 |
| Mass | 370.765 |
| Exact Mass | 370.0632816 |
| Composition | C (58.31%), H (3.26%), Cl (9.56%), F (5.12%), N (15.11%), O (8.63%) |
| Atom Count | 38 |
| PI | 8.08 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCO)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6
,8-10,25H,7H2,(H,23,26)(H,21,22,24) |
| InChIKey | TVQHGTHLBVLBIA-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 | 16480284 |
| 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 |
11595844
|
| Drug Bank Link | - |
| ChemSpider Link | 9770604 |
| ChEMBL Link | CHEMBL202411 |
