| General Property |
| Molceule ID (DB) | EGIN0002491 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-12 compound |
| IUPAC Name | 1-(3-{[(1S)-2-hydroxy-1-phenylethyl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)propan-1-one |
| Formula | C20H22N4O2S |
| Mass | 382.479 |
| Exact Mass | 382.1463467 |
| Composition | C (62.8%), H (5.8%), N (14.65%), O (8.37%), S (8.38%) |
| Atom Count | 49 |
| PI | 9.1 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)CC |
| InChI | 1S/C20H22N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/
h3-7,12,15,25H,2,8-11H2,1H3,(H,21,22,23)/t15-/m1/s1 |
| InChIKey | OMFRMCHLPTWYNH-OAHLLOKOSA-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 |
49788362
|
| Drug Bank Link | - |
| ChemSpider Link | 26364158 |
| ChEMBL Link | CHEMBL1272112 |
