| General Property |
| Molceule ID (DB) | EGIN0002486 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | 2-({8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)ethan-1-ol |
| Formula | C12H15N3OS |
| Mass | 249.332 |
| Exact Mass | 249.0935828 |
| Composition | C (57.81%), H (6.06%), N (16.85%), O (6.42%), S (12.86%) |
| Atom Count | 32 |
| PI | 9.67 |
| Smiles | n1cnc(NCCO)c2c1sc1c2CCCC1 |
| InChI | 1S/C12H15N3OS/c16-6-5-13-11-10-8-3-1-2-4-9(8)17-12(10)15-7-14-11/h7,16H,1-6H2,(H,13,14,15) |
| InChIKey | ROVQPWBLPZTSHA-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 |
1641261
|
| Drug Bank Link | - |
| ChemSpider Link | 1311512 |
| ChEMBL Link | CHEMBL1269735 |
