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Complex #490 — Ru(2) [Ru5]

2D Structure

Structure
⬇ MOL V3000

Info

ID490
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationRu5
SMILESFc1c(F)c(F)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(F)c1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1

TUCAN

C37H21F5N5Ru/(1-44)(2-24)(3-28)(4-36)(5-32)(6-39)(7-27)(8-35)(9-45)(10-30)(11-34)(12-33)(13-37)(14-25)(15-31)(16-40)(17-46)(18-29)(19-38)(20-23)(21-26)(22-24)(22-41)(23-27)(23-34)(24-34)(25-28)(25-36)(26-35)(26-48)(27-41)(28-44)(29-32)(29-40)(30-38)(30-51)(31-42)(31-53)(32-46)(33-42)(33-50)(35-37)(36-49)(37-47)(38-39)(39-45)(40-52)(41-48)(42-43)(43-55)(43-58)(44-61)(45-63)(46-59)(47-49)(47-60)(48-60)(49-61)(50-52)(50-62)(51-53)(51-63)(52-59)(53-62)(54-55)(54-56)(54-65)(55-64)(56-57)(56-68)(57-58)(57-66)(58-67)(60-69)(61-69)(62-69)(63-69)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa5.9 10.1039/d0dt01412e 2020
A5496.1 10.1039/d0dt01412e 2020
A549cisR6.4 10.1039/d0dt01412e 2020
LO29.3 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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