| General Property |
| Molceule ID (DB) | EGIN0001041 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10e compound |
| IUPAC Name | 4-[bis(propan-2-yl)amino]-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide |
| Formula | C24H26BrN5O |
| Mass | 480.4 |
| Exact Mass | 479.1320731 |
| Composition | C (60%), H (5.46%), Br (16.63%), N (14.58%), O (3.33%) |
| Atom Count | 57 |
| PI | 10.45 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN(C(C)C)C(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H26BrN5O/c1-16(2)30(17(3)4)12-6-9-23(31)28-20-10-11-22-21(14-20)24(27-15-26-22)29-19-8-5-7-18(
25)13-19/h5,7-8,10-11,13-17H,12H2,1-4H3,(H,28,31)(H,26,27,29) |
| InChIKey | OZIQEFLVKCIGLR-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 |
5328958
|
| Drug Bank Link | - |
| ChemSpider Link | 4486120 |
| ChEMBL Link | CHEMBL92961 |
