General Property |
Molceule ID (DB) | EGIN0002771 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 7x compound |
IUPAC Name | 4-{[2-({3-[(4-carboxyphenyl)carbonyl]-1-methyl-1H-indol-2-yl}disulfanyl)-1-methyl-1H-indol-3-yl]carbonyl}benzoic acid |
Formula | C34H24N2O6S2 |
Mass | 620.694 |
Exact Mass | 620.1075779 |
Composition | C (65.79%), H (3.9%), N (4.51%), O (15.47%), S (10.33%) |
Atom Count | 68 |
PI | No isoelectric point. |
Smiles | c1(c(n(c2c1cccc2)C)SSc1c(c2c(n1C)cccc2)C(=O)c1ccc(C(=O)O)cc1)C(=O)c1ccc(C(=O)O)cc1 |
InChI | 1S/C34H24N2O6S2/c1-35-25-9-5-3-7-23(25)27(29(37)19-11-15-21(16-12-19)33(39)40)31(35)43-44-32-28(24-8
-4-6-10-26(24)36(32)2)30(38)20-13-17-22(18-14-20)34(41)42/h3-18H,1-2H3,(H,39,40)(H,41,42) |
InChIKey | GGISTQYRESWHKH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002771.png) | Structure Backbone | ![](./frame/f_EGIN0002771.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 |
10348925
|
Drug Bank Link | - |
ChemSpider Link | 8524383 |
ChEMBL Link | CHEMBL346770 |