| General Property |
| Molceule ID (DB) | EGIN0000894 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)methyl]quinazolin-6-yl}prop-2-enamide |
| Formula | C18H14BrN3O |
| Mass | 368.227 |
| Exact Mass | 367.0320247 |
| Composition | C (58.71%), H (3.83%), Br (21.7%), N (11.41%), O (4.34%) |
| Atom Count | 37 |
| PI | 8.25 |
| Smiles | c12cc(ccc1ncnc2Cc1cc(ccc1)Br)NC(=O)C=C |
| InChI | InChI=1S/C18H14BrN3O/c1-2-18(23)22-14-6-7-16-15(10-14)17(21-11-20-16)9-12-4-3-5-13(19)8-12/h2-8,10-1
1H,1,9H2,(H,22,23) |
| InChIKey | InChIKey=SDYMUBCTDLOTEF-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 | 11462982 |
| 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 |
44564165
|
| Drug Bank Link | - |
| ChemSpider Link | 23334776 |
| ChEMBL Link | CHEMBL454383 |
