home← all complexes Ir builderC^N familiesD-MPNN

Complex #4239 — Ru(3) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4239
MetalRu
Oxidation state3
Charge0
Donor atoms{"S": 2, "O": 1}
Abbreviation4
SMILESCS(C)=O.CSC([S-])=[N+]1CCCC1.[Cl-].[Cl-].[Cl-]

TUCAN

C8H17NORuS3/(1-20)(2-20)(3-21)(4-18)(5-22)(6-21)(7-18)(8-19)(9-19)(10-22)(11-22)(12-23)(13-23)(14-23)(15-24)(16-24)(17-24)(18-19)(18-20)(19-21)(20-26)(21-26)(22-29)(23-30)(24-30)(25-26)(25-28)(25-29)(27-30)(29-31)(30-31)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
OVCAR-3—— 10.1016/j.jinorgbio.2009.01.01... 2009
HT-29—— 10.1016/j.jinorgbio.2009.01.01... 2009
IGROV-1—— 10.1016/j.jinorgbio.2009.01.01... 2009
MCF-7—— 10.1016/j.jinorgbio.2009.01.01... 2009
HeLa—— 10.1016/j.jinorgbio.2009.01.01... 2009

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.