| General Property |
| Molceule ID (DB) | EGIN0003851 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 56 compound |
| IUPAC Name | 12-nitro-N-[3-(trifluoromethyl)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 | C17H9F3N4O2S |
| Mass | 390.339 |
| Exact Mass | 390.0398309 |
| Composition | C (52.31%), H (2.32%), F (14.6%), N (14.35%), O (8.2%), S (8.21%) |
| Atom Count | 36 |
| PI | 7.52 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(C(F)(F)F)ccc1)cc([N+](=O)[O-])cc3 |
| InChI | 1S/C17H9F3N4O2S/c18-17(19,20)9-2-1-3-10(6-9)23-16-15-14(21-8-22-16)12-7-11(24(25)26)4-5-13(12)27-15/
h1-8H,(H,21,22,23) |
| InChIKey | XUMLPLGHKIPVJA-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 |
5328404
|
| Drug Bank Link | - |
| ChemSpider Link | 4485569 |
| ChEMBL Link | CHEMBL1189489 |
