| General Property |
| Molceule ID (DB) | EGIN0003852 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 57 compound |
| IUPAC Name | N-(3-bromophenyl)-12-nitro-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
| Formula | C16H9BrN4O2S |
| Mass | 401.237 |
| Exact Mass | 399.9629589 |
| Composition | C (47.89%), H (2.26%), Br (19.91%), N (13.96%), O (7.98%), S (7.99%) |
| Atom Count | 33 |
| PI | 7.54 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc([N+](=O)[O-])cc3 |
| InChI | 1S/C16H9BrN4O2S/c17-9-2-1-3-10(6-9)20-16-15-14(18-8-19-16)12-7-11(21(22)23)4-5-13(12)24-15/h1-8H,(H,
18,19,20) |
| InChIKey | WETDBUJWZMYYBC-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 |
5328405
|
| Drug Bank Link | - |
| ChemSpider Link | 4485570 |
| ChEMBL Link | CHEMBL1194821 |
