General Property |
Molceule ID (DB) | EGIN0002744 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 6g compound |
IUPAC Name | N-benzyl-2-{[3-(benzylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1H-indole-3-carboxamide |
Formula | C32H26N4O2S2 |
Mass | 562.704 |
Exact Mass | 562.1497175 |
Composition | C (68.3%), H (4.66%), N (9.96%), O (5.69%), S (11.4%) |
Atom Count | 66 |
PI | 3.98 |
Smiles | c1(c(c2c([nH]1)cccc2)C(=O)NCc1ccccc1)SSc1c(c2c([nH]1)cccc2)C(=O)NCc1ccccc1 |
InChI | 1S/C32H26N4O2S2/c37-29(33-19-21-11-3-1-4-12-21)27-23-15-7-9-17-25(23)35-31(27)39-40-32-28(24-16-8-10
-18-26(24)36-32)30(38)34-20-22-13-5-2-6-14-22/h1-18,35-36H,19-20H2,(H,33,37)(H,34,38) |
InChIKey | MEEMAUXWQOCKLA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002744.png) | Structure Backbone | ![](./frame/f_EGIN0002744.png) |
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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 |
14943555
|
Drug Bank Link | - |
ChemSpider Link | 10212897 |
ChEMBL Link | CHEMBL347160 |