| General Property |
| Molceule ID (DB) | EGIN0001048 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10l compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-methoxybut-2-ynamide |
| Formula | C19H15BrN4O2 |
| Mass | 411.252 |
| Exact Mass | 410.0378384 |
| Composition | C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%) |
| Atom Count | 41 |
| PI | 8.08 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-
5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24) |
| InChIKey | VKFHLVGNIPONMR-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 | 11495584 |
| 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 |
5328965
|
| Drug Bank Link | - |
| ChemSpider Link | 4486127 |
| ChEMBL Link | CHEMBL91009 |
