| General Property |
| Molceule ID (DB) | EGIN0000548 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-N-(4-bromo-2-ethylphenyl)-7-methoxyquinazolin-4-amine |
| Formula | C27H25BrN4O2S2 |
| Mass | 581.547 |
| Exact Mass | 580.0602301 |
| Composition | C (55.76%), H (4.33%), Br (13.74%), N (9.63%), O (5.5%), S (11.03%) |
| Atom Count | 61 |
| PI | 10.52 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(s1)cccc3)OC)ncnc2Nc1ccc(cc1CC)Br |
| InChI | 1S/C27H25BrN4O2S2/c1-3-17-13-18(28)9-10-20(17)31-26-19-14-24(23(33-2)15-22(19)29-16-30-26)34-11-6-12
-35-27-32-21-7-4-5-8-25(21)36-27/h4-5,7-10,13-16H,3,6,11-12H2,1-2H3,(H,29,30,31) |
| InChIKey | YXPHXQRCNDLKLJ-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 | 24620813 |
| ChEMBL Link | CHEMBL552383 |
