| General Property |
| Molceule ID (DB) | EGIN0002482 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 7c compound |
| IUPAC Name | N-[(4-fluorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine |
| Formula | C17H16FN3S |
| Mass | 313.392 |
| Exact Mass | 313.1048964 |
| Composition | C (65.15%), H (5.15%), F (6.06%), N (13.41%), S (10.23%) |
| Atom Count | 38 |
| PI | 10.78 |
| Smiles | c1(c2c(ncn1)sc1c2CCCC1)NCc1ccc(cc1)F |
| InChI | 1S/C17H16FN3S/c18-12-7-5-11(6-8-12)9-19-16-15-13-3-1-2-4-14(13)22-17(15)21-10-20-16/h5-8,10H,1-4,9H2
,(H,19,20,21) |
| InChIKey | CFNNRUHQKQNOMT-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 |
2563183
|
| Drug Bank Link | - |
| ChemSpider Link | 1907132 |
| ChEMBL Link | CHEMBL1271949 |
