| General Property |
| Molceule ID (DB) | EGIN0000574 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide |
| Formula | C20H18ClN5O5S |
| Mass | 475.905 |
| Exact Mass | 475.0717171 |
| Composition | C (50.48%), H (3.81%), Cl (7.45%), N (14.72%), O (16.81%), S (6.74%) |
| Atom Count | 50 |
| PI | 3.99 |
| Smiles | c12c(cc(c(c1)OC)OC)nc(nc2Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)Cl |
| InChI | 1S/C20H18ClN5O5S/c1-11-8-18(25-31-11)26-32(27,28)13-6-4-12(5-7-13)22-19-14-9-16(29-2)17(30-3)10-15(1
4)23-20(21)24-19/h4-10H,1-3H3,(H,25,26)(H,22,23,24) |
| InChIKey | CUXULJCOWHBFCB-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 | 24720639 |
| ChEMBL Link | CHEMBL525209 |
