| General Property |
| Molceule ID (DB) | EGIN0002751 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7d compound |
| IUPAC Name | 2-{[2-({3-[(carboxymethyl)carbamoyl]-1-methyl-1H-indol-2-yl}disulfanyl)-1-methyl-1H-indol-3-yl]formamido}acetic acid |
| Formula | C24H22N4O6S2 |
| Mass | 526.585 |
| Exact Mass | 526.0980758 |
| Composition | C (54.74%), H (4.21%), N (10.64%), O (18.23%), S (12.18%) |
| Atom Count | 58 |
| PI | 0.61 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCC(=O)O)SSc1c(c2c(n1C)cccc2)C(=O)NCC(=O)O |
| InChI | 1S/C24H22N4O6S2/c1-27-15-9-5-3-7-13(15)19(21(33)25-11-17(29)30)23(27)35-36-24-20(22(34)26-12-18(31)3
2)14-8-4-6-10-16(14)28(24)2/h3-10H,11-12H2,1-2H3,(H,25,33)(H,26,34)(H,29,30)(H,31,32) |
| InChIKey | MWSDPGNRCYVMGL-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 | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10007087
|
| Drug Bank Link | - |
| ChemSpider Link | 8182667 |
| ChEMBL Link | CHEMBL345211 |
