| General Property |
| Molceule ID (DB) | EGIN0001179 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-[3-(4-methylpiperidin-1-yl)propoxy]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 | 10.89 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)Br)OCCCN1CC[C@H](CC1)C)NC(=O)C=C |
| InChI | 1S/C26H30BrN5O2/c1-3-25(33)31-23-15-21-22(28-17-29-26(21)30-20-7-4-6-19(27)14-20)16-24(23)34-13-5-10
-32-11-8-18(2)9-12-32/h3-4,6-7,14-18H,1,5,8-13H2,2H3,(H,31,33)(H,28,29,30) |
| InChIKey | BXCABSZEPMAAON-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 | 10956451 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
