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Complex #1742 — Ru(2) [6b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1742
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 1}
Abbreviation6b
SMILESCCCNC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C

TUCAN

C20NORu/(1-13)(2-14)(3-15)(4-17)(5-18)(6-11)(7-8)(7-9)(8-10)(9-16)(10-12)(11-19)(12-16)(13-14)(13-15)(14-17)(15-18)(16-20)(17-18)(19-21)(20-21)(20-22)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MM96L9.6— 10.1016/j.jorganchem.2016.06.0... 2016
MCF-713— 10.1016/j.jorganchem.2016.06.0... 2016
MDA-MB-23126— 10.1016/j.jorganchem.2016.06.0... 2016
NFF29— 10.1016/j.jorganchem.2016.06.0... 2016

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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