| General Property |
| Molceule ID (DB) | EGIN0003863 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 68 compound |
| IUPAC Name | 6-N-(3-bromophenyl)-12-N,12-N-dimethyl-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 | C18H15BrN4S |
| Mass | 399.308 |
| Exact Mass | 398.0200798 |
| Composition | C (54.14%), H (3.79%), Br (20.01%), N (14.03%), S (8.03%) |
| Atom Count | 39 |
| PI | 9.68 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(N(C)C)cc3 |
| InChI | 1S/C18H15BrN4S/c1-23(2)13-6-7-15-14(9-13)16-17(24-15)18(21-10-20-16)22-12-5-3-4-11(19)8-12/h3-10H,1-
2H3,(H,20,21,22) |
| InChIKey | VCEGHIUOGKKYHY-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 |
5328416
|
| Drug Bank Link | - |
| ChemSpider Link | 4485581 |
| ChEMBL Link | CHEMBL153739 |
