| General Property |
| Molceule ID (DB) | EGIN0002760 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7m compound |
| IUPAC Name | 3-[2-({3-[(3-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)Nc2cc(C(=O)O)ccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2cc(C(=O)O)ccc2)c2c(n1C)cccc2 |
| InChI | 1S/C34H26N4O6S2/c1-37-25-15-5-3-13-23(25)27(29(39)35-21-11-7-9-19(17-21)33(41)42)31(37)45-46-32-28(2
4-14-4-6-16-26(24)38(32)2)30(40)36-22-12-8-10-20(18-22)34(43)44/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,41
,42)(H,43,44) |
| InChIKey | JPAWWDLYFWRPSM-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 |
10416818
|
| Drug Bank Link | - |
| ChemSpider Link | 8592251 |
| ChEMBL Link | CHEMBL345837 |
