| General Property |
| Molceule ID (DB) | EGIN0001043 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10g compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(piperidin-1-yl)but-2-ynamide |
| Formula | C23H22BrN5O |
| Mass | 464.358 |
| Exact Mass | 463.100773 |
| Composition | C (59.49%), H (4.78%), Br (17.21%), N (15.08%), O (3.45%) |
| Atom Count | 52 |
| PI | 9.89 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1CCCCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C23H22BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1
-3-12-29/h4,6-7,9-10,14-16H,1-3,11-13H2,(H,27,30)(H,25,26,28) |
| InChIKey | BQMMBUOYOGSCCG-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 |
5328960
|
| Drug Bank Link | - |
| ChemSpider Link | 4486122 |
| ChEMBL Link | CHEMBL90595 |
