General Property |
Molceule ID (DB) | EGIN0004160 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | HTS12932 |
IUPAC Name | 8-thia-2,4,5-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),5,9,11-tetraen-3-one |
Formula | C9H7N3OS |
Mass | 205.236 |
Exact Mass | 205.0309826 |
Composition | C (52.67%), H (3.44%), N (20.47%), O (7.8%), S (15.62%) |
Atom Count | 21 |
PI | No isoelectric point. |
Smiles | c12ccccc1SCc1n2c(=O)[nH]n1 |
InChI | 1S/C9H7N3OS/c13-9-11-10-8-5-14-7-4-2-1-3-6(7)12(8)9/h1-4H,5H2,(H,11,13) |
InChIKey | DEHMKMLLYRNHIJ-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 | 19170633 |
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 |
127161
|
Drug Bank Link | - |
ChemSpider Link | 112879 |
ChEMBL Link | CHEMBL460904 |