General Property |
Molceule ID (DB) | EGIN0002483 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 7d compound |
IUPAC Name | N-benzyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-amine |
Formula | C16H15N3S |
Mass | 281.375 |
Exact Mass | 281.0986682 |
Composition | C (68.3%), H (5.37%), N (14.93%), S (11.4%) |
Atom Count | 35 |
PI | 10.78 |
Smiles | c1(c2c(ncn1)sc1c2CCC1)NCc1ccccc1 |
InChI | 1S/C16H15N3S/c1-2-5-11(6-3-1)9-17-15-14-12-7-4-8-13(12)20-16(14)19-10-18-15/h1-3,5-6,10H,4,7-9H2,(H,
17,18,19) |
InChIKey | GPRGFUFEZITBFL-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 | 20961149 |
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 |
2172003
|
Drug Bank Link | - |
ChemSpider Link | 1622935 |
ChEMBL Link | CHEMBL1269717 |