General Property |
Molceule ID (DB) | EGIN0002838 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 10e compound |
IUPAC Name | 2-{[4-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-3-(phenylcarbamoyl)-1H-indol-4-yl acetate |
Formula | C36H30N4O6S2 |
Mass | 678.777 |
Exact Mass | 678.1606761 |
Composition | C (63.7%), H (4.45%), N (8.25%), O (14.14%), S (9.45%) |
Atom Count | 78 |
PI | 3.43 |
Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(cccc3n2C)OC(=O)C)c(C(=O)Nc2ccccc2)c2c(cccc12)OC(=O)C |
InChI | 1S/C36H30N4O6S2/c1-21(41)45-27-19-11-17-25-29(27)31(33(43)37-23-13-7-5-8-14-23)35(39(25)3)47-48-36-3
2(34(44)38-24-15-9-6-10-16-24)30-26(40(36)4)18-12-20-28(30)46-22(2)42/h5-20H,1-4H3,(H,37,43)(H,38,44
) |
InChIKey | AURYYBJWNGTKQC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002838.png) | Structure Backbone | ![](./frame/f_EGIN0002838.png) |
|
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 | |
Pub Chem Link |
5328596
|
Drug Bank Link | - |
ChemSpider Link | 4485760 |
ChEMBL Link | CHEMBL59812 |