| General Property |
| Molceule ID (DB) | EGIN0000551 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine |
| Formula | C25H20ClFN4O3S |
| Mass | 510.968 |
| Exact Mass | 510.0928671 |
| Composition | C (58.76%), H (3.95%), Cl (6.94%), F (3.72%), N (10.96%), O (9.39%), S (6.28%) |
| Atom Count | 55 |
| PI | 10.35 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C25H20ClFN4O3S/c1-32-22-13-20-16(24(29-14-28-20)30-15-7-8-18(27)17(26)11-15)12-23(22)33-9-4-10-35
-25-31-19-5-2-3-6-21(19)34-25/h2-3,5-8,11-14H,4,9-10H2,1H3,(H,28,29,30) |
| InChIKey | AYKUTFKJHLEGCK-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 18771819 |
| 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 | 24617819 |
| ChEMBL Link | CHEMBL550650 |
