General Property |
Molceule ID (DB) | EGIN0000406 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 49 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}but-2-enamide |
Formula | C20H15BrN4O |
Mass | 407.263 |
Exact Mass | 406.0429238 |
Composition | C (58.98%), H (3.71%), Br (19.62%), N (13.76%), O (3.93%) |
Atom Count | 41 |
PI | 9.11 |
Smiles | c12c(ccc(c1)NC(=O)/C=C/C)ncc(c2Nc1cccc(c1)Br)C#N |
InChI | 1S/C20H15BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h2-10,
12H,1H3,(H,23,25)(H,24,26)/b4-2+ |
InChIKey | CFVOLTWOOMEMAM-DUXPYHPUSA-N |
2D Structure | ![](./image/EGIN0000406.png) | Structure Backbone | ![](./frame/f_EGIN0000406.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 |
10223065
|
Drug Bank Link | - |
ChemSpider Link | 8398557 |
ChEMBL Link | CHEMBL326811 |