| General Property |
| Molceule ID (DB) | EGIN0003847 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 52 compound |
| IUPAC Name | N-[(1S)-1-phenylethyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
| Formula | C18H15N3S |
| Mass | 305.397 |
| Exact Mass | 305.0986682 |
| Composition | C (70.79%), H (4.95%), N (13.76%), S (10.5%) |
| Atom Count | 37 |
| PI | 9.19 |
| Smiles | c12sc3c(c1ncnc2N[C@H](c1ccccc1)C)cccc3 |
| InChI | 1S/C18H15N3S/c1-12(13-7-3-2-4-8-13)21-18-17-16(19-11-20-18)14-9-5-6-10-15(14)22-17/h2-12H,1H3,(H,19,
20,21)/t12-/m0/s1 |
| InChIKey | WXXYNGFRGPWDFC-LBPRGKRZSA-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 | 10639288 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKC | IR | FGFr | ALL |
| Pub Chem Link |
10494804
|
| Drug Bank Link | - |
| ChemSpider Link | 8670205 |
| ChEMBL Link | CHEMBL153224 |
