| General Property |
| Molceule ID (DB) | EGIN0003861 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 66 compound |
| IUPAC Name | N-(3-bromophenyl)-11-methoxy-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
| Formula | C17H12BrN3OS |
| Mass | 386.266 |
| Exact Mass | 384.9884454 |
| Composition | C (52.86%), H (3.13%), Br (20.69%), N (10.88%), O (4.14%), S (8.3%) |
| Atom Count | 35 |
| PI | 8.67 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)ccc(c3)OC |
| InChI | 1S/C17H12BrN3OS/c1-22-12-5-6-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(
H,19,20,21) |
| InChIKey | JXAMULRNCBZFDI-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 |
5328414
|
| Drug Bank Link | - |
| ChemSpider Link | 4485579 |
| ChEMBL Link | CHEMBL346846 |
