| General Property |
| Molceule ID (DB) | EGIN0000578 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 6c compound |
| IUPAC Name | 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(pyrimidin-2-yl)benzene-1-sulfonamide |
| Formula | C22H21N5O3S |
| Mass | 435.499 |
| Exact Mass | 435.1365103 |
| Composition | C (60.67%), H (4.86%), N (16.08%), O (11.02%), S (7.36%) |
| Atom Count | 52 |
| PI | 7.48 |
| Smiles | c12c(ccc(c1)OCC)nc(cc2Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C |
| InChI | 1S/C22H21N5O3S/c1-3-30-17-7-10-20-19(14-17)21(13-15(2)25-20)26-16-5-8-18(9-6-16)31(28,29)27-22-23-11
-4-12-24-22/h4-14H,3H2,1-2H3,(H,25,26)(H,23,24,27) |
| InChIKey | ITDRBAZMQGDVDW-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24709373 |
| ChEMBL Link | CHEMBL498690 |
