| General Property |
| Molceule ID (DB) | EGIN0003868 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 73 compound |
| IUPAC Name | N-(3-bromophenyl)-11,12-dimethoxy-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
| Formula | C18H14BrN3O2S |
| Mass | 416.292 |
| Exact Mass | 414.99901 |
| Composition | C (51.93%), H (3.39%), Br (19.19%), N (10.09%), O (7.69%), S (7.7%) |
| Atom Count | 39 |
| PI | 9.11 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(c(c3)OC)OC |
| InChI | 1S/C18H14BrN3O2S/c1-23-13-7-12-15(8-14(13)24-2)25-17-16(12)20-9-21-18(17)22-11-5-3-4-10(19)6-11/h3-9
H,1-2H3,(H,20,21,22) |
| InChIKey | BQRQLVIVDZZXTA-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 |
5328421
|
| Drug Bank Link | - |
| ChemSpider Link | 4485586 |
| ChEMBL Link | CHEMBL1193454 |
