| General Property |
| Molceule ID (DB) | EGIN0003859 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 64 compound |
| IUPAC Name | 6-N-(3-bromophenyl)-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 | C16H10BrFN4S |
| Mass | 389.245 |
| Exact Mass | 387.9793579 |
| Composition | C (49.37%), H (2.59%), Br (20.53%), F (4.88%), N (14.39%), S (8.24%) |
| Atom Count | 33 |
| PI | 9.3 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(c(c3)N)F |
| InChI | 1S/C16H10BrFN4S/c17-8-2-1-3-9(4-8)22-16-15-14(20-7-21-16)10-5-11(18)12(19)6-13(10)23-15/h1-7H,19H2,(
H,20,21,22) |
| InChIKey | GYZDLQGLTSJPMG-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 |
5328412
|
| Drug Bank Link | - |
| ChemSpider Link | 4485577 |
| ChEMBL Link | CHEMBL153573 |
