| General Property |
| Molceule ID (DB) | EGIN0002485 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 9a compound |
| IUPAC Name | N-[(1R)-1-phenylethyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine |
| Formula | C18H19N3S |
| Mass | 309.429 |
| Exact Mass | 309.1299683 |
| Composition | C (69.87%), H (6.19%), N (13.58%), S (10.36%) |
| Atom Count | 41 |
| PI | 10.46 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)C)c2c1sc1c2CCCC1 |
| InChI | 1S/C18H19N3S/c1-12(13-7-3-2-4-8-13)21-17-16-14-9-5-6-10-15(14)22-18(16)20-11-19-17/h2-4,7-8,11-12H,5
-6,9-10H2,1H3,(H,19,20,21)/t12-/m1/s1 |
| InChIKey | XSCMNQGFHHGUOU-GFCCVEGCSA-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 |
2808930
|
| Drug Bank Link | - |
| ChemSpider Link | 2087361 |
| ChEMBL Link | CHEMBL1272004 |
