| General Property |
| Molceule ID (DB) | EGIN0003850 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 55 compound |
| IUPAC Name | N-(3-methylphenyl)-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 | C17H12N4O2S |
| Mass | 336.368 |
| Exact Mass | 336.0680963 |
| Composition | C (60.7%), H (3.6%), N (16.66%), O (9.51%), S (9.53%) |
| Atom Count | 36 |
| PI | 7.77 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(ccc1)C)cc([N+](=O)[O-])cc3 |
| InChI | 1S/C17H12N4O2S/c1-10-3-2-4-11(7-10)20-17-16-15(18-9-19-17)13-8-12(21(22)23)5-6-14(13)24-16/h2-9H,1H3
,(H,18,19,20) |
| InChIKey | VRACYLKRFFVNRG-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 |
5328403
|
| Drug Bank Link | - |
| ChemSpider Link | 4485568 |
| ChEMBL Link | CHEMBL1193456 |
