| General Property |
| Molceule ID (DB) | EGIN0000878 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 48 compound |
| IUPAC Name | 4-[(3-bromophenyl)amino]-6-ethoxy-7-methoxyquinoline-3-carbonitrile |
| Formula | C19H16BrN3O2 |
| Mass | 398.253 |
| Exact Mass | 397.0425894 |
| Composition | C (57.3%), H (4.05%), Br (20.06%), N (10.55%), O (8.03%) |
| Atom Count | 41 |
| PI | 10.78 |
| Smiles | c12c(cc(c(c1)OCC)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C19H16BrN3O2/c1-3-25-18-8-15-16(9-17(18)24-2)22-11-12(10-21)19(15)23-14-6-4-5-13(20)7-14/h4-9,11H
,3H2,1-2H3,(H,22,23) |
| InChIKey | IKOYWGLBVGPRAG-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 |
5328873
|
| Drug Bank Link | - |
| ChemSpider Link | 4486035 |
| ChEMBL Link | CHEMBL110065 |
