| General Property |
| Molceule ID (DB) | EGIN0000377 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}but-2-ynamide |
| Formula | C20H13BrN4O |
| Mass | 405.247 |
| Exact Mass | 404.0272737 |
| Composition | C (59.28%), H (3.23%), Br (19.72%), N (13.83%), O (3.95%) |
| Atom Count | 39 |
| PI | 8.02 |
| Smiles | c12c(ccc(c1)NC(=O)C#CC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-1
0,12H,1H3,(H,23,25)(H,24,26) |
| InChIKey | PBDJWRUCRSLDEM-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 | 15006373 | |
| 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 |
9887521
|
| Drug Bank Link | - |
| ChemSpider Link | 8063193 |
| ChEMBL Link | CHEMBL283682 |
