| General Property |
| Molceule ID (DB) | EGIN0000889 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 59 compound |
| IUPAC Name | 10-[(3-bromophenyl)amino]-2H,3H,4H-[1,4]dioxepino[2,3-g]quinoline-9-carbonitrile |
| Formula | C19H14BrN3O2 |
| Mass | 396.237 |
| Exact Mass | 395.0269394 |
| Composition | C (57.59%), H (3.56%), Br (20.17%), N (10.6%), O (8.08%) |
| Atom Count | 39 |
| PI | 10.77 |
| Smiles | c12c(cc3c(c1)OCCCO3)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C19H14BrN3O2/c20-13-3-1-4-14(7-13)23-19-12(10-21)11-22-16-9-18-17(8-15(16)19)24-5-2-6-25-18/h1,3-
4,7-9,11H,2,5-6H2,(H,22,23) |
| InChIKey | WGCFPJONRQWILN-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 | 10966743 |
| 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 |
5328884
|
| Drug Bank Link | - |
| ChemSpider Link | 4486046 |
| ChEMBL Link | CHEMBL325981 |
