| General Property |
| Molceule ID (DB) | EGIN0001040 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10d compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(propan-2-yl)amino]but-2-ynamide |
| Formula | C22H22BrN5O |
| Mass | 452.347 |
| Exact Mass | 451.100773 |
| Composition | C (58.41%), H (4.9%), Br (17.66%), N (15.48%), O (3.54%) |
| Atom Count | 51 |
| PI | 10.16 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN(C)C(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H22BrN5O/c1-15(2)28(3)11-5-8-21(29)26-18-9-10-20-19(13-18)22(25-14-24-20)27-17-7-4-6-16(23)12-
17/h4,6-7,9-10,12-15H,11H2,1-3H3,(H,26,29)(H,24,25,27) |
| InChIKey | INNDLQJCKYFJTJ-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 |
5328957
|
| Drug Bank Link | - |
| ChemSpider Link | 4486119 |
| ChEMBL Link | CHEMBL91811 |
