General Property |
Molceule ID (DB) | EGIN0000393 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 35 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-8-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
Formula | C23H22BrN5O2 |
Mass | 480.357 |
Exact Mass | 479.0956876 |
Composition | C (57.51%), H (4.62%), Br (16.63%), N (14.58%), O (6.66%) |
Atom Count | 53 |
PI | 11.45 |
Smiles | c12c(c(cc(c1)NC(=O)/C=C/CN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N |
InChI | 1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(1
2-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+ |
InChIKey | MPNMKIMGGUGYMJ-VMPITWQZSA-N |
2D Structure | ![](./image/EGIN0000393.png) | Structure Backbone | ![](./frame/f_EGIN0000393.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 | 12502359 |
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 |
11102890
|
Drug Bank Link | - |
ChemSpider Link | 9278032 |
ChEMBL Link | CHEMBL116857 |