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Complex #3846 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3846
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation4
SMILESCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1

TUCAN

C31H24N6ORu/(1-37)(2-42)(3-36)(4-27)(5-44)(6-41)(7-26)(8-43)(9-40)(10-29)(11-25)(12-30)(13-54)(14-54)(15-54)(16-33)(17-32)(18-39)(19-34)(20-31)(21-45)(22-38)(23-35)(24-28)(25-28)(25-50)(26-35)(26-38)(27-34)(27-37)(28-36)(29-33)(29-45)(30-53)(30-55)(31-40)(31-44)(32-40)(32-51)(33-39)(34-42)(35-43)(36-49)(37-46)(38-47)(39-52)(41-48)(41-55)(42-57)(43-60)(44-59)(45-56)(46-49)(46-57)(47-50)(47-60)(48-52)(48-61)(49-58)(50-58)(51-53)(51-59)(52-56)(53-61)(54-62)(55-62)(58-63)(59-63)(60-63)(61-63)(62-63)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RPE-1 10.1016/j.jinorgbio.2019.11075... 2019
HeLa 10.1016/j.jinorgbio.2019.11075... 2019

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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