| General Property |
| Molceule ID (DB) | EGIN0002527 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | ethyl N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}carbamate |
| Formula | C19H15BrN4O2 |
| Mass | 411.252 |
| Exact Mass | 410.0378384 |
| Composition | C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%) |
| Atom Count | 41 |
| PI | 7.36 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)OCC |
| InChI | 1S/C19H15BrN4O2/c1-2-26-19(25)24-15-6-7-16-12(10-21)11-22-18(17(16)9-15)23-14-5-3-4-13(20)8-14/h3-9,
11H,2H2,1H3,(H,22,23)(H,24,25) |
| InChIKey | KALBEVISAZNDOS-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 | 21130659 |
| 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 |
53324440
|
| Drug Bank Link | - |
| ChemSpider Link | 26379912 |
| ChEMBL Link | CHEMBL1641994 |
