General Property |
Molceule ID (DB) | EGIN0002747 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 6dd compound |
IUPAC Name | 3-phenyl-2-[(3-phenyl-1H-indol-2-yl)disulfanyl]-1H-indole |
Formula | C28H20N2S2 |
Mass | 448.602 |
Exact Mass | 448.10679 |
Composition | C (74.97%), H (4.49%), N (6.24%), S (14.3%) |
Atom Count | 52 |
PI | No isoelectric point. |
Smiles | c1(c(c2c([nH]1)cccc2)c1ccccc1)SSc1c(c2c([nH]1)cccc2)c1ccccc1 |
InChI | 1S/C28H20N2S2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)29-27(25)31-32-28-26(20-13-5-2-6-14-20)22-16-8
-10-18-24(22)30-28/h1-18,29-30H |
InChIKey | OOMNEOSPLONJPF-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 |
15249955
|
Drug Bank Link | - |
ChemSpider Link | 23229986 |
ChEMBL Link | CHEMBL422540 |