| General Property |
| Molceule ID (DB) | EGIN0001132 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | N-[4-(diethylamino)-3-methylphenyl]-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide |
| Formula | C21H26N4OS2 |
| Mass | 414.587 |
| Exact Mass | 414.1548029 |
| Composition | C (60.84%), H (6.32%), N (13.51%), O (3.86%), S (15.47%) |
| Atom Count | 54 |
| PI | 9.52 |
| Smiles | c1(c2c(sc1C)ncnc2SCC(=O)Nc1cc(c(cc1)N(CC)CC)C)C |
| InChI | 1S/C21H26N4OS2/c1-6-25(7-2)17-9-8-16(10-13(17)3)24-18(26)11-27-20-19-14(4)15(5)28-21(19)23-12-22-20/
h8-10,12H,6-7,11H2,1-5H3,(H,24,26) |
| InChIKey | YFFRXMLOYGAMMO-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 | 18500794 |
| 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 |
1172519
|
| Drug Bank Link | - |
| ChemSpider Link | 991990 |
| ChEMBL Link | CHEMBL487736 |
