General Property |
Molceule ID (DB) | EGIN0002753 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 7f compound |
IUPAC Name | N-[2-(dimethylamino)ethyl]-2-[(3-{[2-(dimethylamino)ethyl]carbamoyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indole-3-carboxamide |
Formula | C28H36N6O2S2 |
Mass | 552.754 |
Exact Mass | 552.2341158 |
Composition | C (60.84%), H (6.56%), N (15.2%), O (5.79%), S (11.6%) |
Atom Count | 74 |
PI | 11.36 |
Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCCN(C)C)SSc1c(c2c(n1C)cccc2)C(=O)NCCN(C)C |
InChI | 1S/C28H36N6O2S2/c1-31(2)17-15-29-25(35)23-19-11-7-9-13-21(19)33(5)27(23)37-38-28-24(26(36)30-16-18-3
2(3)4)20-12-8-10-14-22(20)34(28)6/h7-14H,15-18H2,1-6H3,(H,29,35)(H,30,36) |
InChIKey | ASAVPQOOHXZTPY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002753.png) | Structure Backbone | ![](./frame/f_EGIN0002753.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 |
10257058
|
Drug Bank Link | - |
ChemSpider Link | 8432541 |
ChEMBL Link | CHEMBL348554 |