| General Property |
| Molceule ID (DB) | EGIN0003862 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 67 compound |
| IUPAC Name | 6-N-(3-bromophenyl)-12-N-methyl-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine |
| Formula | C17H13BrN4S |
| Mass | 385.281 |
| Exact Mass | 384.0044298 |
| Composition | C (53%), H (3.4%), Br (20.74%), N (14.54%), S (8.32%) |
| Atom Count | 36 |
| PI | 9.46 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(NC)cc3 |
| InChI | 1S/C17H13BrN4S/c1-19-11-5-6-14-13(8-11)15-16(23-14)17(21-9-20-15)22-12-4-2-3-10(18)7-12/h2-9,19H,1H3
,(H,20,21,22) |
| InChIKey | NRNGTBQZEILVIB-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 |
5328415
|
| Drug Bank Link | - |
| ChemSpider Link | 4485580 |
| ChEMBL Link | CHEMBL1184611 |
