General Property |
Molceule ID (DB) | EGIN0003853 |
Inhibitor Class | Benzo-thieno-pyrimidine |
Molecule Name in Refrence Article | 58 compound |
IUPAC Name | 6-N-phenyl-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine |
Formula | C16H12N4S |
Mass | 292.358 |
Exact Mass | 292.0782671 |
Composition | C (65.73%), H (4.14%), N (19.16%), S (10.97%) |
Atom Count | 33 |
PI | 9.26 |
Smiles | c12sc3c(c1ncnc2Nc1ccccc1)cc(N)cc3 |
InChI | 1S/C16H12N4S/c17-10-6-7-13-12(8-10)14-15(21-13)16(19-9-18-14)20-11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,
20) |
InChIKey | ZRSXJSKLDBKPLV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003853.png) | Structure Backbone | ![](./frame/f_EGIN0003853.png) |
|
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 |
5328406
|
Drug Bank Link | - |
ChemSpider Link | 4485571 |
ChEMBL Link | CHEMBL1184579 |