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 |