General Property |
Molceule ID (DB) | EGIN0003855 |
Inhibitor Class | Benzo-thieno-pyrimidine |
Molecule Name in Refrence Article | 60 compound |
IUPAC Name | 6-N-[3-(trifluoromethyl)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 | C17H11F3N4S |
Mass | 360.356 |
Exact Mass | 360.0656517 |
Composition | C (56.66%), H (3.08%), F (15.82%), N (15.55%), S (8.9%) |
Atom Count | 36 |
PI | 9.03 |
Smiles | c12sc3c(c1ncnc2Nc1cc(C(F)(F)F)ccc1)cc(N)cc3 |
InChI | 1S/C17H11F3N4S/c18-17(19,20)9-2-1-3-11(6-9)24-16-15-14(22-8-23-16)12-7-10(21)4-5-13(12)25-15/h1-8H,2
1H2,(H,22,23,24) |
InChIKey | INSDTUVLNWKIRF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003855.png) | Structure Backbone | ![](./frame/f_EGIN0003855.png) |
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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 | PDGFr | c-Src | FGFr | PKC | ALL |
Pub Chem Link |
5328408
|
Drug Bank Link | - |
ChemSpider Link | 4485573 |
ChEMBL Link | CHEMBL347282 |