| General Property |
| Molceule ID (DB) | EGIN0002492 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-13 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)but-2-yn-1-one |
| Formula | C21H20N4O2S |
| Mass | 392.474 |
| Exact Mass | 392.1306966 |
| Composition | C (64.27%), H (5.14%), N (14.28%), O (8.15%), S (8.17%) |
| Atom Count | 48 |
| PI | 9.1 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)C#CC |
| InChI | 1S/C21H20N4O2S/c1-2-6-18(27)25-10-9-15-17(11-25)28-21-19(15)20(22-13-23-21)24-16(12-26)14-7-4-3-5-8-
14/h3-5,7-8,13,16,26H,9-12H2,1H3,(H,22,23,24)/t16-/m1/s1 |
| InChIKey | VRNJPDDSMMLWSW-MRXNPFEDSA-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 |
49788363
|
| Drug Bank Link | - |
| ChemSpider Link | 26364018 |
| ChEMBL Link | CHEMBL1272113 |
