| General Property |
| Molceule ID (DB) | EGIN0001061 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16r compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2-hydroxyethyl)(methyl)amino]but-2-enamide |
| Formula | C21H22BrN5O2 |
| Mass | 456.336 |
| Exact Mass | 455.0956876 |
| Composition | C (55.27%), H (4.86%), Br (17.51%), N (15.35%), O (7.01%) |
| Atom Count | 51 |
| PI | 11.39 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(CCO)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C21H22BrN5O2/c1-27(10-11-28)9-3-6-20(29)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12
-16/h2-8,12-14,28H,9-11H2,1H3,(H,25,29)(H,23,24,26)/b6-3+ |
| InChIKey | UFLUWNRWPWDTEF-ZZXKWVIFSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 4486140 |
| ChEMBL Link | CHEMBL93783 |
