| General Property |
| Molceule ID (DB) | EGIN0002982 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | methyl 2-[2-({[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]sulfanyl}disulfanyl)-1H-indol-3-yl]acetate |
| Formula | C22H20N2O4S3 |
| Mass | 472.6 |
| Exact Mass | 472.0585192 |
| Composition | C (55.91%), H (4.27%), N (5.93%), O (13.54%), S (20.35%) |
| Atom Count | 51 |
| PI | No isoelectric point. |
| Smiles | c1(c(c2c([nH]1)cccc2)CC(=O)OC)SSSc1c(c2c([nH]1)cccc2)CC(=O)OC |
| InChI | 1S/C22H20N2O4S3/c1-27-19(25)11-15-13-7-3-5-9-17(13)23-21(15)29-31-30-22-16(12-20(26)28-2)14-8-4-6-10
-18(14)24-22/h3-10,23-24H,11-12H2,1-2H3 |
| InChIKey | HQPKCMPXXDIADR-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 |
5328557
|
| Drug Bank Link | - |
| ChemSpider Link | 4485721 |
| ChEMBL Link | CHEMBL79621 |
