| General Property |
| Molceule ID (DB) | EGIN0001051 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10o compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-hydroxybut-2-ynamide |
| Formula | C18H13BrN4O2 |
| Mass | 397.225 |
| Exact Mass | 396.0221883 |
| Composition | C (54.43%), H (3.3%), Br (20.12%), N (14.1%), O (8.06%) |
| Atom Count | 38 |
| PI | 8.08 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCO)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6
-7,9-11,24H,8H2,(H,22,25)(H,20,21,23) |
| InChIKey | IHZHFIKEGVXLHF-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 |
5328968
|
| Drug Bank Link | - |
| ChemSpider Link | 4486130 |
| ChEMBL Link | CHEMBL94062 |
