| General Property |
| Molceule ID (DB) | EGIN0000553 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine |
| Formula | C26H21F3N4O4S |
| Mass | 542.53 |
| Exact Mass | 542.1235605 |
| Composition | C (57.56%), H (3.9%), F (10.51%), N (10.33%), O (11.8%), S (5.91%) |
| Atom Count | 59 |
| PI | 10.56 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1ccc(cc1)OC(F)(F)F |
| InChI | 1S/C26H21F3N4O4S/c1-34-22-14-20-18(24(31-15-30-20)32-16-7-9-17(10-8-16)37-26(27,28)29)13-23(22)35-11
-4-12-38-25-33-19-5-2-3-6-21(19)36-25/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,30,31,32) |
| InChIKey | ATVWBFZXXLXMRW-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 | 24619457 |
| ChEMBL Link | CHEMBL550853 |
