| General Property |
| Molceule ID (DB) | EGIN0001045 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10i compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(thiomorpholin-4-yl)but-2-ynamide |
| Formula | C22H20BrN5OS |
| Mass | 482.396 |
| Exact Mass | 481.0571936 |
| Composition | C (54.78%), H (4.18%), Br (16.56%), N (14.52%), O (3.32%), S (6.65%) |
| Atom Count | 50 |
| PI | 9.4 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1CCSCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H20BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30
-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27) |
| InChIKey | MXFUQFIEHKHLRL-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 |
5328962
|
| Drug Bank Link | - |
| ChemSpider Link | 4486124 |
| ChEMBL Link | CHEMBL328977 |
