| General Property |
| Molceule ID (DB) | EGIN0002859 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10z compound |
| IUPAC Name | 1-methyl-2-{[1-methyl-3-(phenylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]disulfanyl}-N-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| Formula | C30H24N6O2S2 |
| Mass | 564.681 |
| Exact Mass | 564.1402154 |
| Composition | C (63.81%), H (4.28%), N (14.88%), O (5.67%), S (11.36%) |
| Atom Count | 64 |
| PI | 7.11 |
| Smiles | c1(c(C(=O)Nc2ccccc2)c2c(n1C)nccc2)SSc1c(C(=O)Nc2ccccc2)c2c(n1C)nccc2 |
| InChI | 1S/C30H24N6O2S2/c1-35-25-21(15-9-17-31-25)23(27(37)33-19-11-5-3-6-12-19)29(35)39-40-30-24(22-16-10-1
8-32-26(22)36(30)2)28(38)34-20-13-7-4-8-14-20/h3-18H,1-2H3,(H,33,37)(H,34,38) |
| InChIKey | HCTZFBVISJHBHE-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 | 8027985 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | ALL |
| Pub Chem Link |
5328617
|
| Drug Bank Link | - |
| ChemSpider Link | 4485781 |
| ChEMBL Link | CHEMBL62701 |
