General Property |
Molceule ID (DB) | EGIN0000645 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | PD160879 |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-7-yl}but-2-enamide |
Formula | C18H15BrN4O |
Mass | 383.242 |
Exact Mass | 382.0429238 |
Composition | C (56.41%), H (3.95%), Br (20.85%), N (14.62%), O (4.17%) |
Atom Count | 39 |
PI | 8.76 |
Smiles | c12c(cc(cc1)NC(=O)/C=C/C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C18H15BrN4O/c1-2-4-17(24)22-14-7-8-15-16(10-14)20-11-21-18(15)23-13-6-3-5-12(19)9-13/h2-11H,1H3,(
H,22,24)(H,20,21,23)/b4-2+ |
InChIKey | DLDLSHFGFDPLKJ-DUXPYHPUSA-N |
2D Structure | ![](./image/EGIN0000645.png) | Structure Backbone | ![](./frame/f_EGIN0000645.png) |
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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 | 9751783 |
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 |
10068517
|
Drug Bank Link | - |
ChemSpider Link | 8244057 |
ChEMBL Link | CHEMBL511874 |