| General Property |
| Molceule ID (DB) | EGIN0002526 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-3-(morpholin-4-yl)propanamide |
| Formula | C23H22BrN5O2 |
| Mass | 480.357 |
| Exact Mass | 479.0956876 |
| Composition | C (57.51%), H (4.62%), Br (16.63%), N (14.58%), O (6.66%) |
| Atom Count | 53 |
| PI | 10.35 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CCN1CCOCC1 |
| InChI | 1S/C23H22BrN5O2/c24-17-2-1-3-18(12-17)28-23-21-13-19(4-5-20(21)16(14-25)15-26-23)27-22(30)6-7-29-8-1
0-31-11-9-29/h1-5,12-13,15H,6-11H2,(H,26,28)(H,27,30) |
| InChIKey | DAAAITFDPKRTSZ-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 |
53320463
|
| Drug Bank Link | - |
| ChemSpider Link | 26379627 |
| ChEMBL Link | CHEMBL1641993 |
