| General Property |
| Molceule ID (DB) | EGIN0003871 |
| Inhibitor Class | Thiazolo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 76 compound |
| IUPAC Name | N-(3-bromophenyl)-3,7-dithia-5,10,12-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,9,11-pentaen-9-amine |
| Formula | C13H7BrN4S2 |
| Mass | 363.255 |
| Exact Mass | 361.9295503 |
| Composition | C (42.98%), H (1.94%), Br (22%), N (15.42%), S (17.65%) |
| Atom Count | 27 |
| PI | 7.49 |
| Smiles | c12c(sc3c1ncnc3Nc1cc(Br)ccc1)ncs2 |
| InChI | 1S/C13H7BrN4S2/c14-7-2-1-3-8(4-7)18-12-10-9(15-5-16-12)11-13(20-10)17-6-19-11/h1-6H,(H,15,16,18) |
| InChIKey | RLAGSKIPOCVMQK-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 |
5328424
|
| Drug Bank Link | - |
| ChemSpider Link | 4485589 |
| ChEMBL Link | CHEMBL1184382 |
