| General Property |
| Molceule ID (DB) | EGIN0000890 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 61 compound |
| IUPAC Name | 1-[(3-bromophenyl)amino]-6,7-dimethoxyisoquinoline-4-carbonitrile |
| Formula | C18H14BrN3O2 |
| Mass | 384.227 |
| Exact Mass | 383.0269394 |
| Composition | C (56.27%), H (3.67%), Br (20.8%), N (10.94%), O (8.33%) |
| Atom Count | 38 |
| PI | 9.58 |
| Smiles | c12c(cc(c(c1)OC)OC)c(cnc2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C18H14BrN3O2/c1-23-16-7-14-11(9-20)10-21-18(15(14)8-17(16)24-2)22-13-5-3-4-12(19)6-13/h3-8,10H,1-
2H3,(H,21,22) |
| InChIKey | KCTRDGYZIGFRDH-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 |
5328885
|
| Drug Bank Link | - |
| ChemSpider Link | 4486047 |
| ChEMBL Link | CHEMBL324439 |
