| General Property |
| Molceule ID (DB) | EGIN0000913 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 3-(dimethylamino)propyl (2E)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)prop-2-enoate |
| Formula | C23H24BrN5O3 |
| Mass | 498.372 |
| Exact Mass | 497.1062523 |
| Composition | C (55.43%), H (4.85%), Br (16.03%), N (14.05%), O (9.63%) |
| Atom Count | 56 |
| PI | 11.84 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)OCCCN(C)C |
| InChI | 1S/C23H24BrN5O3/c1-29(2)11-4-12-32-22(31)10-9-21(30)27-18-7-8-20-19(14-18)23(26-15-25-20)28-17-6-3-5
-16(24)13-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,30)(H,25,26,28)/b10-9+ |
| InChIKey | BBIKEXVBWCYZFP-MDZDMXLPSA-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 |
5329085
|
| Drug Bank Link | - |
| ChemSpider Link | 4486247 |
| ChEMBL Link | CHEMBL140561 |
