| General Property |
| Molceule ID (DB) | EGIN0003849 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 54 compound |
| IUPAC Name | 12-nitro-N-phenyl-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
| Formula | C16H10N4O2S |
| Mass | 322.341 |
| Exact Mass | 322.0524463 |
| Composition | C (59.62%), H (3.13%), N (17.38%), O (9.93%), S (9.95%) |
| Atom Count | 33 |
| PI | 7.73 |
| Smiles | c12sc3c(c1ncnc2Nc1ccccc1)cc([N+](=O)[O-])cc3 |
| InChI | 1S/C16H10N4O2S/c21-20(22)11-6-7-13-12(8-11)14-15(23-13)16(18-9-17-14)19-10-4-2-1-3-5-10/h1-9H,(H,17,
18,19) |
| InChIKey | NOBQECCESYXWPW-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 |
5328402
|
| Drug Bank Link | - |
| ChemSpider Link | 4485567 |
| ChEMBL Link | CHEMBL1193457 |
