General Property |
Molceule ID (DB) | EGIN0004687 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 25 |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(4-methoxyphenyl)prop-2-enamide |
Formula | C24H19BrN4O2 |
Mass | 475.337 |
Exact Mass | 474.0691385 |
Composition | C (60.64%), H (4.03%), Br (16.81%), N (11.79%), O (6.73%) |
Atom Count | 50 |
PI | 9.12 |
Smiles | c1(ccc(cc1)OC)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
InChI | 1S/C24H19BrN4O2/c1-31-20-9-5-16(6-10-20)7-12-23(30)28-19-8-11-22-21(14-19)24(27-15-26-22)29-18-4-2-3
-17(25)13-18/h2-15H,1H3,(H,28,30)(H,26,27,29)/b12-7+ |
InChIKey | VQWBPRFGLQGDAV-KPKJPENVSA-N |
2D Structure | ![](./image/EGIN0004687.png) | Structure Backbone | ![](./frame/f_EGIN0004687.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 |
56676438
|
Drug Bank Link | - |
ChemSpider Link | 26630975 |
ChEMBL Link | CHEMBL1812435 |