Molecule ID: 6615809

IUPAC Name: 2-(1H-indol-3-yl)-N-[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyldisulfanyl]ethyl]ethanamine

Description: The molecule is an organic disulfide composed of two molecules of 2-{[2-(1H-indol-3-yl)ethyl]amino}ethane-1-thiol linked together via a disulfide bond. It is a glucose-6-phosphate dehydrogenase (G6PD) activator which reduces oxidative stress in cells and zebrafish. It is an organic disulfide, a member of indoles and a secondary amino compound.

SMILES: c1ccc2c(CCNCCSSCCNCCc3c[nH]c4ccccc34)c[nH]c2c1

SELFIES: [C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][N][C][C][S][S][C][C][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C]

InChI: InChI=1S/C24H30N4S2/c1-3-7-23-21(5-1)19(17-27-23)9-11-25-13-15-29-30-16-14-26-12-10-20-18-28-24-8-4-2-6-22(20)24/h1-8,17-18,25-28H,9-16H2

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 4.2