| General Property |
| Molceule ID (DB) | EGIN0000912 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-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 | 11.19 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)N(C(=O)C=C)CCCN1CCOCC1 |
| InChI | 1S/C24H26BrN5O2/c1-2-23(31)30(10-4-9-29-11-13-32-14-12-29)20-7-8-22-21(16-20)24(27-17-26-22)28-19-6-
3-5-18(25)15-19/h2-3,5-8,15-17H,1,4,9-14H2,(H,26,27,28) |
| InChIKey | FQAVYQDBRCNTBT-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 | 11462982 |
| 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 |
5329084
|
| Drug Bank Link | - |
| ChemSpider Link | 4486246 |
| ChEMBL Link | CHEMBL139307 |
