| General Property |
| Molceule ID (DB) | EGIN0002530 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}furan-3-carboxamide |
| Formula | C21H13BrN4O2 |
| Mass | 433.258 |
| Exact Mass | 432.0221883 |
| Composition | C (58.22%), H (3.02%), Br (18.44%), N (12.93%), O (7.39%) |
| Atom Count | 41 |
| PI | 6 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)c1ccoc1 |
| InChI | 1S/C21H13BrN4O2/c22-15-2-1-3-16(8-15)25-20-19-9-17(26-21(27)13-6-7-28-12-13)4-5-18(19)14(10-23)11-24
-20/h1-9,11-12H,(H,24,25)(H,26,27) |
| InChIKey | AYKBCVLWKNGVRR-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 |
53324441
|
| Drug Bank Link | - |
| ChemSpider Link | 26375540 |
| ChEMBL Link | CHEMBL1641997 |
