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Complex #3368 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3368
MetalRu
Oxidation state2
Charge0
Donor atoms{"S": 2, "O": 2, "N": 4}
Abbreviation1
SMILESCS(C)=O.CS(C)=O.[Cl-].[Cl-].c1c[nH]c(-c2ncc[nH]2)n1

TUCAN

C10H18N4O2RuS2/(1-20)(2-25)(3-25)(4-19)(5-25)(6-26)(7-26)(8-26)(9-27)(10-27)(11-27)(12-22)(13-28)(14-21)(15-28)(16-28)(17-29)(18-30)(19-20)(19-29)(20-31)(21-22)(21-30)(22-32)(23-24)(23-29)(23-31)(24-30)(24-32)(25-35)(26-35)(27-36)(28-36)(31-37)(32-37)(33-35)(34-36)(35-37)(36-37)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
95D2.1e+02 10.1016/j.ejmech.2011.01.074 2011
HeLa2.5e+02 10.1016/j.ejmech.2011.01.074 2011
HepG22.9e+02 10.1016/j.ejmech.2011.01.074 2011
MCF-72.9e+02 10.1016/j.ejmech.2011.01.074 2011
MDA-MB-435S8e+02 10.1139/v10-076 2010

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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