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Complex #489 — Ru(2) [Ru4]

2D Structure

Structure
⬇ MOL V3000

Info

ID489
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationRu4
SMILESFc1cc(F)c(F)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1

TUCAN

C37H22F4N5Ru/(1-29)(2-27)(3-26)(4-36)(5-47)(6-38)(7-48)(8-37)(9-30)(10-42)(11-40)(12-25)(13-24)(14-46)(15-39)(16-32)(17-41)(18-34)(19-33)(20-31)(21-35)(22-28)(23-26)(23-43)(24-25)(24-26)(25-35)(27-29)(27-55)(28-30)(28-37)(29-36)(30-54)(31-40)(31-48)(32-33)(32-42)(33-47)(34-44)(34-50)(35-43)(36-46)(37-49)(38-58)(38-59)(39-40)(39-52)(41-44)(41-51)(42-53)(43-49)(44-45)(45-56)(45-57)(46-62)(47-60)(48-64)(49-61)(50-53)(50-63)(51-52)(51-63)(52-64)(53-60)(54-55)(54-61)(55-62)(56-58)(56-65)(57-59)(57-67)(58-66)(59-68)(61-69)(62-69)(63-69)(64-69)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa3.4 10.1039/d0dt01412e 2020
A549cisR3.9 10.1039/d0dt01412e 2020
A5493.9 10.1039/d0dt01412e 2020
LO25.1 10.1039/d0dt01412e 2020

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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