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Complex #4200 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4200
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation1
SMILESCS(=O)(=O)[N-]CCNCCCc1ccccc1.[Cl-]

TUCAN

C12H19N2O2RuS/(1-25)(2-20)(3-21)(4-22)(5-23)(6-25)(7-26)(8-24)(9-26)(10-28)(11-28)(12-29)(13-30)(14-31)(15-30)(16-29)(17-31)(18-31)(19-32)(20-21)(20-27)(21-22)(22-23)(23-24)(24-27)(25-26)(25-27)(26-28)(28-32)(29-30)(29-32)(30-33)(31-36)(33-36)(33-37)(34-36)(35-36)(36-37)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278023— 10.1021/acs.organomet.8b00132 2018
HepG228— 10.1021/acs.organomet.8b00132 2018
MCF-729— 10.1021/acs.organomet.8b00132 2018
MRC-531— 10.1021/acs.organomet.8b00132 2018
A54933— 10.1021/acs.organomet.8b00132 2018
A2780cisR—— 10.1021/acs.organomet.8b00132 2018

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
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