| General Property |
| Molceule ID (DB) | EGIN0002974 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | methyl 3-[3-(3-methoxy-3-oxopropyl)-2-sulfanyl-3H-indol-3-yl]propanoate |
| Formula | C16H19NO4S |
| Mass | 321.391 |
| Exact Mass | 321.1034788 |
| Composition | C (59.79%), H (5.96%), N (4.36%), O (19.91%), S (9.98%) |
| Atom Count | 41 |
| PI | 6.91 |
| Smiles | C1(C(=Nc2c1cccc2)S)(CCC(=O)OC)CCC(=O)OC |
| InChI | 1S/C16H19NO4S/c1-20-13(18)7-9-16(10-8-14(19)21-2)11-5-3-4-6-12(11)17-15(16)22/h3-6H,7-10H2,1-2H3,(H,
17,22) |
| InChIKey | HIYGHVDHPBJOJY-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 | 8355247 |
| 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 |
5328548
|
| Drug Bank Link | - |
| ChemSpider Link | 4485712 |
| ChEMBL Link | CHEMBL312247 |
