| General Property |
| Molceule ID (DB) | EGIN0001284 |
| Inhibitor Class | Naphthyridine |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}but-2-ynamide |
| Formula | C20H12ClFN4O |
| Mass | 378.787 |
| Exact Mass | 378.0683669 |
| Composition | C (63.42%), H (3.19%), Cl (9.36%), F (5.02%), N (14.79%), O (4.22%) |
| Atom Count | 39 |
| PI | 8.02 |
| Smiles | c12c(ccc(c1)NC(=O)C#CC)ncc(c2Nc1cc(c(cc1)F)Cl)C#N |
| InChI | 1S/C20H12ClFN4O/c1-2-3-19(27)25-13-5-7-18-15(8-13)20(12(10-23)11-24-18)26-14-4-6-17(22)16(21)9-14/h4
-9,11H,1H3,(H,24,26)(H,25,27) |
| InChIKey | GPLSEURFJLQXHR-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 | 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 |
22466664
|
| Drug Bank Link | - |
| ChemSpider Link | 13473043 |
| ChEMBL Link | CHEMBL31876 |
