| General Property |
| Molceule ID (DB) | EGIN0002528 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | (2S)-N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-5-oxopyrrolidine-2-carboxamide |
| Formula | C21H16BrN5O2 |
| Mass | 450.288 |
| Exact Mass | 449.0487374 |
| Composition | C (56.01%), H (3.58%), Br (17.75%), N (15.55%), O (7.11%) |
| Atom Count | 45 |
| PI | 6.15 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)[C@@H]1CCC(=O)N1 |
| InChI | 1S/C21H16BrN5O2/c22-13-2-1-3-14(8-13)25-20-17-9-15(4-5-16(17)12(10-23)11-24-20)26-21(29)18-6-7-19(28
)27-18/h1-5,8-9,11,18H,6-7H2,(H,24,25)(H,26,29)(H,27,28)/t18-/m0/s1 |
| InChIKey | IMDWAIJBGFJDSL-SFHVURJKSA-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 |
53319130
|
| Drug Bank Link | - |
| ChemSpider Link | 26378010 |
| ChEMBL Link | CHEMBL1641995 |
