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Complex #689 — Ru(2) [2dRu]

2D Structure

Structure
⬇ MOL V3000

Info

ID689
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation2dRu
SMILESCc1ccc(C(C)C)cc1.Cc1ccc2c(Cn3cc(-c4ccccn4)nn3)cc(=O)oc2c1.[Cl-]

TUCAN

C28H28N4O2Ru/(1-32)(2-37)(3-30)(4-35)(5-29)(6-29)(7-30)(8-36)(9-43)(10-38)(11-32)(12-52)(13-42)(14-32)(15-33)(16-50)(17-34)(18-51)(19-40)(20-39)(21-52)(22-49)(23-30)(24-31)(25-29)(26-31)(27-41)(28-31)(29-45)(30-49)(31-49)(32-48)(33-34)(33-50)(34-38)(35-37)(35-45)(36-41)(36-45)(37-47)(38-53)(39-48)(39-55)(40-46)(40-56)(41-47)(42-43)(42-44)(43-48)(44-46)(44-55)(46-52)(47-49)(50-59)(51-54)(51-57)(52-57)(53-54)(53-59)(54-60)(55-62)(56-61)(56-62)(57-58)(58-60)(59-63)(60-63)(62-63)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK29313 10.1002/ardp.202400271 2024
MCF-724 10.1002/ardp.202400271 2024
HepG226 10.1002/ardp.202400271 2024
PANC-160 10.1002/ardp.202400271 2024
RKO70 10.1002/ardp.202400271 2024

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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