| General Property |
| Molceule ID (DB) | EGIN0001059 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16p compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide |
| Formula | C24H26BrN5O2 |
| Mass | 496.4 |
| Exact Mass | 495.1269877 |
| Composition | C (58.07%), H (5.28%), Br (16.1%), N (14.11%), O (6.45%) |
| Atom Count | 58 |
| PI | 11.48 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN1[C@@H](CCC1)COC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H26BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-
2-5-17(25)13-18/h2,4-6,8-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/b8-4+/t20-/m0/s1 |
| InChIKey | RHVQWSMLJGXEQH-BFSLETRISA-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 |
5328975
|
| Drug Bank Link | - |
| ChemSpider Link | 4486137 |
| ChEMBL Link | CHEMBL419501 |
