General Property |
Molceule ID (DB) | EGIN0004703 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 22 |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chlorophenyl)prop-2-enamide |
Formula | C23H16BrClN4O |
Mass | 479.756 |
Exact Mass | 478.0196015 |
Composition | C (57.58%), H (3.36%), Br (16.66%), Cl (7.39%), N (11.68%), O (3.33%) |
Atom Count | 46 |
PI | 9.11 |
Smiles | c1(ccccc1Cl)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
InChI | 1S/C23H16BrClN4O/c24-16-5-3-6-17(12-16)29-23-19-13-18(9-10-21(19)26-14-27-23)28-22(30)11-8-15-4-1-2-
7-20(15)25/h1-14H,(H,28,30)(H,26,27,29)/b11-8+ |
InChIKey | GQPVUNKQHFTJGO-DHZHZOJOSA-N |
2D Structure | ![](./image/EGIN0004703.png) | Structure Backbone | ![](./frame/f_EGIN0004703.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 | 21763148 |
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 |
56666202
|
Drug Bank Link | - |
ChemSpider Link | 26628266 |
ChEMBL Link | CHEMBL1812432 |