| General Property |
| Molceule ID (DB) | EGIN0000577 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 6a compound |
| IUPAC Name | 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide |
| Formula | C22H22N4O4S |
| Mass | 438.499 |
| Exact Mass | 438.1361759 |
| Composition | C (60.26%), H (5.06%), N (12.78%), O (14.59%), S (7.31%) |
| Atom Count | 53 |
| PI | 7.06 |
| Smiles | c12c(ccc(c1)OCC)nc(cc2Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)C |
| InChI | 1S/C22H22N4O4S/c1-4-29-17-7-10-20-19(13-17)21(11-14(2)23-20)24-16-5-8-18(9-6-16)31(27,28)26-22-12-15
(3)30-25-22/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26) |
| InChIKey | DALCZTSFQFYNNV-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 | 18678492 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24709317 |
| ChEMBL Link | CHEMBL497323 |
