| General Property |
| Molceule ID (DB) | EGIN0003860 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 65 compound |
| IUPAC Name | 6-N-(3-bromophenyl)-11-N-ethyl-12-fluoro-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,11-diamine |
| Formula | C18H14BrFN4S |
| Mass | 417.298 |
| Exact Mass | 416.010658 |
| Composition | C (51.81%), H (3.38%), Br (19.15%), F (4.55%), N (13.43%), S (7.68%) |
| Atom Count | 39 |
| PI | 9.24 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(c(c3)NCC)F |
| InChI | 1S/C18H14BrFN4S/c1-2-21-14-8-15-12(7-13(14)20)16-17(25-15)18(23-9-22-16)24-11-5-3-4-10(19)6-11/h3-9,
21H,2H2,1H3,(H,22,23,24) |
| InChIKey | JQKNNKZQNBHDRC-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 | 10639288 |
| 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 |
5328413
|
| Drug Bank Link | - |
| ChemSpider Link | 4485578 |
| ChEMBL Link | CHEMBL1184588 |
