General Property |
Molceule ID (DB) | EGIN0004691 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 24 |
IUPAC Name | (2E)-3-(2-bromophenyl)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide |
Formula | C23H16Br2N4O |
Mass | 524.207 |
Exact Mass | 521.9690864 |
Composition | C (52.7%), H (3.08%), Br (30.49%), N (10.69%), O (3.05%) |
Atom Count | 46 |
PI | 9.12 |
Smiles | c1(ccccc1Br)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
InChI | 1S/C23H16Br2N4O/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 | RCKUPYHQCFJMHW-DHZHZOJOSA-N |
2D Structure | | Structure Backbone | |
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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 |
56676437
|
Drug Bank Link | - |
ChemSpider Link | 26628268 |
ChEMBL Link | CHEMBL1812434 |