| General Property |
| Molceule ID (DB) | EGIN0000554 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(4-bromo-2-ethylphenyl)-7-methoxyquinazolin-4-amine |
| Formula | C27H25BrN4O3S |
| Mass | 565.481 |
| Exact Mass | 564.083074 |
| Composition | C (57.35%), H (4.46%), Br (14.13%), N (9.91%), O (8.49%), S (5.67%) |
| Atom Count | 61 |
| PI | 10.52 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1ccc(cc1CC)Br |
| InChI | 1S/C27H25BrN4O3S/c1-3-17-13-18(28)9-10-20(17)31-26-19-14-25(24(33-2)15-22(19)29-16-30-26)34-11-6-12-
36-27-32-21-7-4-5-8-23(21)35-27/h4-5,7-10,13-16H,3,6,11-12H2,1-2H3,(H,29,30,31) |
| InChIKey | RFMLMTLWZQUTEG-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 | 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 | 24617960 |
| ChEMBL Link | CHEMBL550164 |
