| General Property |
| Molceule ID (DB) | EGIN0000380 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(methoxymethoxy)but-2-ynamide |
| Formula | C22H17BrN4O3 |
| Mass | 465.299 |
| Exact Mass | 464.0484031 |
| Composition | C (56.79%), H (3.68%), Br (17.17%), N (12.04%), O (10.32%) |
| Atom Count | 47 |
| PI | 8.01 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOCOC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23
)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28) |
| InChIKey | KBBWAZYDYIKZBH-UHFFFAOYSA-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 |
| 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 |
11016075
|
| Drug Bank Link | - |
| ChemSpider Link | 9191260 |
| ChEMBL Link | CHEMBL441279 |
