| General Property |
| Molceule ID (DB) | EGIN0004845 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 6 |
| IUPAC Name | N-(3-{[(2S)-2,3-dihydroxypropyl]sulfanyl}-5-nitrophenyl)-2-(4-fluorophenyl)acetamide |
| Formula | C17H17FN2O5S |
| Mass | 380.391 |
| Exact Mass | 380.0842206 |
| Composition | C (53.68%), H (4.5%), F (4.99%), N (7.36%), O (21.03%), S (8.43%) |
| Atom Count | 43 |
| PI | 5.08 |
| Smiles | c1c(ccc(c1)CC(=O)Nc1cc(cc(c1)SC[C@H](CO)O)[N+](=O)[O-])F |
| InChI | 1S/C17H17FN2O5S/c18-12-3-1-11(2-4-12)5-17(23)19-13-6-14(20(24)25)8-16(7-13)26-10-15(22)9-21/h1-4,6-8
,15,21-22H,5,9-10H2,(H,19,23)/t15-/m0/s1 |
| InChIKey | IFYGYPZZXIKBMR-HNNXBMFYSA-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 | 22595177 |
| 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 |
40433957
|
| Drug Bank Link | - |
| ChemSpider Link | 28509014 |
| ChEMBL Link | - |
