| General Property |
| Molceule ID (DB) | EGIN0001060 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16q compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2-methoxyethyl)(methyl)amino]but-2-enamide |
| Formula | C22H24BrN5O2 |
| Mass | 470.362 |
| Exact Mass | 469.1113377 |
| Composition | C (56.18%), H (5.14%), Br (16.99%), N (14.89%), O (6.8%) |
| Atom Count | 54 |
| PI | 11.36 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(CCOC)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H24BrN5O2/c1-28(11-12-30-2)10-4-7-21(29)26-18-8-9-20-19(14-18)22(25-15-24-20)27-17-6-3-5-16(23
)13-17/h3-9,13-15H,10-12H2,1-2H3,(H,26,29)(H,24,25,27)/b7-4+ |
| InChIKey | BDNLTOXSGSRVFC-QPJJXVBHSA-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 |
5328977
|
| Drug Bank Link | - |
| ChemSpider Link | 4486139 |
| ChEMBL Link | CHEMBL442754 |
