| General Property |
| Molceule ID (DB) | EGIN0000573 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | 2-chloro-6,7-dimethoxy-4-{4-[(4-methylbenzene)sulfonyl]piperazin-1-yl}quinazoline |
| Formula | C21H23ClN4O4S |
| Mass | 462.95 |
| Exact Mass | 462.1128536 |
| Composition | C (54.48%), H (5.01%), Cl (7.66%), N (12.1%), O (13.82%), S (6.93%) |
| Atom Count | 54 |
| PI | No isoelectric point. |
| Smiles | c12c(cc(c(c1)OC)OC)nc(nc2N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)Cl |
| InChI | 1S/C21H23ClN4O4S/c1-14-4-6-15(7-5-14)31(27,28)26-10-8-25(9-11-26)20-16-12-18(29-2)19(30-3)13-17(16)2
3-21(22)24-20/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey | AFDPFMXZQHFTJB-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 | 24708493 |
| ChEMBL Link | CHEMBL497657 |
