| General Property |
| Molceule ID (DB) | EGIN0002531 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-3-(1H-indol-2-yl)propanamide |
| Formula | C27H20BrN5O |
| Mass | 510.385 |
| Exact Mass | 509.0851229 |
| Composition | C (63.54%), H (3.95%), Br (15.66%), N (13.72%), O (3.13%) |
| Atom Count | 54 |
| PI | 7.81 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CCc1cc2c([nH]1)cccc2 |
| InChI | 1S/C27H20BrN5O/c28-19-5-3-6-20(13-19)33-27-24-14-22(8-10-23(24)18(15-29)16-30-27)32-26(34)11-9-21-12
-17-4-1-2-7-25(17)31-21/h1-8,10,12-14,16,31H,9,11H2,(H,30,33)(H,32,34) |
| InChIKey | XQAGTHUVMXMRDQ-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 |
53321754
|
| Drug Bank Link | - |
| ChemSpider Link | 26380070 |
| ChEMBL Link | CHEMBL1641998 |
