General Property |
Molceule ID (DB) | EGIN0002745 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 6j compound |
IUPAC Name | N-phenyl-2-{[3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1H-indole-3-carboxamide |
Formula | C30H22N4O2S2 |
Mass | 534.651 |
Exact Mass | 534.1184173 |
Composition | C (67.39%), H (4.15%), N (10.48%), O (5.98%), S (11.99%) |
Atom Count | 60 |
PI | 2.93 |
Smiles | c1(c([nH]c2c1cccc2)SSc1c(C(=O)Nc2ccccc2)c2c([nH]1)cccc2)C(=O)Nc1ccccc1 |
InChI | 1S/C30H22N4O2S2/c35-27(31-19-11-3-1-4-12-19)25-21-15-7-9-17-23(21)33-29(25)37-38-30-26(22-16-8-10-18
-24(22)34-30)28(36)32-20-13-5-2-6-14-20/h1-18,33-34H,(H,31,35)(H,32,36) |
InChIKey | QUFRAHTWCZTVHT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002745.png) | Structure Backbone | ![](./frame/f_EGIN0002745.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 | 7837241 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | SRC | |
Pub Chem Link |
10875157
|
Drug Bank Link | - |
ChemSpider Link | 9050433 |
ChEMBL Link | CHEMBL345641 |