General Property |
Molceule ID (DB) | EGIN0002646 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | methyl 3-(2-{[3-(3-methoxy-3-oxopropyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanoate |
Formula | C24H24N2O4S2 |
Mass | 468.588 |
Exact Mass | 468.1177486 |
Composition | C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.69%) |
Atom Count | 56 |
PI | No isoelectric point. |
Smiles | c1cccc2c1c(c([nH]2)SSc1[nH]c2c(c1CCC(=O)OC)cccc2)CCC(=O)OC |
InChI | 1S/C24H24N2O4S2/c1-29-21(27)13-11-17-15-7-3-5-9-19(15)25-23(17)31-32-24-18(12-14-22(28)30-2)16-8-4-6
-10-20(16)26-24/h3-10,25-26H,11-14H2,1-2H3 |
InChIKey | ZMWAFESFFVDUCV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002646.png) | Structure Backbone | ![](./frame/f_EGIN0002646.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 | 7510340 | 8355247 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | SRC | |
Pub Chem Link |
5328560
|
Drug Bank Link | - |
ChemSpider Link | 4485724 |
ChEMBL Link | CHEMBL79808 |