| General Property |
| Molceule ID (DB) | EGIN0002759 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7l compound |
| IUPAC Name | 2-[2-({3-[(2-carboxyphenyl)carbamoyl]-1-methyl-1H-indol-2-yl}disulfanyl)-1-methyl-1H-indole-3-amido]benzoic acid |
| Formula | C34H26N4O6S2 |
| Mass | 650.723 |
| Exact Mass | 650.129376 |
| Composition | C (62.76%), H (4.03%), N (8.61%), O (14.75%), S (9.86%) |
| Atom Count | 72 |
| PI | No isoelectric point. |
| Smiles | c1(c(C(=O)Nc2c(C(=O)O)cccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2c(C(=O)O)cccc2)c2c(n1C)cccc2 |
| InChI | 1S/C34H26N4O6S2/c1-37-25-17-9-5-13-21(25)27(29(39)35-23-15-7-3-11-19(23)33(41)42)31(37)45-46-32-28(2
2-14-6-10-18-26(22)38(32)2)30(40)36-24-16-8-4-12-20(24)34(43)44/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,41
,42)(H,43,44) |
| InChIKey | GPQUWHBSXHDEEV-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 |
10100761
|
| Drug Bank Link | - |
| ChemSpider Link | 8276294 |
| ChEMBL Link | CHEMBL345862 |
