| General Property |
| Molceule ID (DB) | EGIN0000381 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(thiomorpholin-4-yl)but-2-ynamide |
| Formula | C24H20BrN5OS |
| Mass | 506.417 |
| Exact Mass | 505.0571936 |
| Composition | C (56.92%), H (3.98%), Br (15.78%), N (13.83%), O (3.16%), S (6.33%) |
| Atom Count | 52 |
| PI | 9.45 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1CCSCC1)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C24H20BrN5OS/c25-18-3-1-4-19(13-18)29-24-17(15-26)16-27-22-7-6-20(14-21(22)24)28-23(31)5-2-8-30-9
-11-32-12-10-30/h1,3-4,6-7,13-14,16H,8-12H2,(H,27,29)(H,28,31) |
| InChIKey | YSDJJHLEMPHMFB-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 | 12502359 |
| 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 |
11762902
|
| Drug Bank Link | - |
| ChemSpider Link | 9937598 |
| ChEMBL Link | CHEMBL327023 |
