General Property |
Molceule ID (DB) | EGIN0004851 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 5 |
IUPAC Name | 7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),5,9,11-tetraene-3-thione |
Formula | C9H8N4S |
Mass | 204.252 |
Exact Mass | 204.046967 |
Composition | C (52.92%), H (3.95%), N (27.43%), S (15.7%) |
Atom Count | 22 |
PI | 5.27 |
Smiles | c1cccc2c1n1c(n2C)n[nH]c1=S |
InChI | 1S/C9H8N4S/c1-12-6-4-2-3-5-7(6)13-8(12)10-11-9(13)14/h2-5H,1H3,(H,11,14) |
InChIKey | KKRXWMLLDAIWCO-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 22227214 |
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 |
703960
|
Drug Bank Link | - |
ChemSpider Link | 613677 |
ChEMBL Link | CHEMBL1944922 |