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 | ![](./image/EGIN0002859.png) | Structure Backbone | ![](./frame/f_EGIN0002859.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 | 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 |