| General Property |
| Molceule ID (DB) | EGIN0002651 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10g compound |
| IUPAC Name | N-methoxy-3-[2-({3-[2-(methoxycarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]propanamide |
| Formula | C24H26N4O4S2 |
| Mass | 498.618 |
| Exact Mass | 498.1395467 |
| Composition | C (57.81%), H (5.26%), N (11.24%), O (12.83%), S (12.86%) |
| Atom Count | 60 |
| PI | 1.94 |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)NOC)CCC(=O)NOC |
| InChI | 1S/C24H26N4O4S2/c1-31-27-21(29)13-11-17-15-7-3-5-9-19(15)25-23(17)33-34-24-18(12-14-22(30)28-32-2)16
-8-4-6-10-20(16)26-24/h3-10,25-26H,11-14H2,1-2H3,(H,27,29)(H,28,30) |
| InChIKey | BYVXOMRKIJSLRU-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328575
|
| Drug Bank Link | - |
| ChemSpider Link | 4485739 |
| ChEMBL Link | CHEMBL154969 |
