| General Property |
| Molceule ID (DB) | EGIN0003858 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 63 compound |
| IUPAC Name | 6-N-(3-bromophenyl)-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 | C16H11BrN4S |
| Mass | 371.254 |
| Exact Mass | 369.9887797 |
| Composition | C (51.76%), H (2.99%), Br (21.52%), N (15.09%), S (8.64%) |
| Atom Count | 33 |
| PI | 9.41 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)ccc(c3)N |
| InChI | 1S/C16H11BrN4S/c17-9-2-1-3-11(6-9)21-16-15-14(19-8-20-16)12-5-4-10(18)7-13(12)22-15/h1-8H,18H2,(H,19
,20,21) |
| InChIKey | VTCCFNSRHBUEKC-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 |
5328411
|
| Drug Bank Link | - |
| ChemSpider Link | 4485576 |
| ChEMBL Link | CHEMBL1189963 |
