| General Property |
| Molceule ID (DB) | EGIN0000556 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methylphenyl)quinazolin-4-amine |
| Formula | C26H24N4O3S |
| Mass | 472.559 |
| Exact Mass | 472.1569113 |
| Composition | C (66.08%), H (5.12%), N (11.86%), O (10.16%), S (6.79%) |
| Atom Count | 58 |
| PI | 10.67 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1ccc(cc1)C |
| InChI | 1S/C26H24N4O3S/c1-17-8-10-18(11-9-17)29-25-19-14-24(23(31-2)15-21(19)27-16-28-25)32-12-5-13-34-26-30
-20-6-3-4-7-22(20)33-26/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28,29) |
| InChIKey | NTEPULNONZSYQR-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 | 24625712 |
| ChEMBL Link | CHEMBL559297 |
