| General Property |
| Molceule ID (DB) | EGIN0000211 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-[4-(piperidin-4-yl)butoxy]quinazolin-6-yl}prop-2-enamide |
| Formula | C26H30BrN5O2 |
| Mass | 524.453 |
| Exact Mass | 523.1582879 |
| Composition | C (59.54%), H (5.77%), Br (15.24%), N (13.35%), O (6.1%) |
| Atom Count | 64 |
| PI | 11.45 |
| Smiles | O=C(Nc1cc2c(cc1OCCCCC1CCNCC1)ncnc2Nc1cccc(c1)Br)C=C |
| InChI | 1S/C26H30BrN5O2/c1-2-25(33)32-23-15-21-22(29-17-30-26(21)31-20-8-5-7-19(27)14-20)16-24(23)34-13-4-3-
6-18-9-11-28-12-10-18/h2,5,7-8,14-18,28H,1,3-4,6,9-13H2,(H,32,33)(H,29,30,31) |
| InChIKey | CJPRDSUCXPIEEM-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 | 10753475 |
| 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 | - |
| ChEMBL Link | CHEMBL32844 |
