| General Property |
| Molceule ID (DB) | EGIN0000388 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C22H20BrN5O |
| Mass | 450.331 |
| Exact Mass | 449.0851229 |
| Composition | C (58.68%), H (4.48%), Br (17.74%), N (15.55%), O (3.55%) |
| Atom Count | 49 |
| PI | 11.66 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-20-19(12-18)22(15(13-24)14-25-20)27-17-6-3-5-16(23)11-
17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+ |
| InChIKey | ABDIOQXDBJMGHB-QPJJXVBHSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 15006373 | |
| 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 |
10253204
|
| Drug Bank Link | - |
| ChemSpider Link | 8428690 |
| ChEMBL Link | CHEMBL30973 |
