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Complex #4379 — Ru(2) [2c]

2D Structure

Structure
⬇ MOL V3000

Info

ID4379
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation2c
SMILESIc1c[c-]c(/C=N/c2ccccc2)s1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C31H23IN5RuS/(1-25)(2-28)(3-26)(4-27)(5-43)(6-33)(7-30)(8-44)(9-46)(10-36)(11-39)(12-37)(13-31)(14-45)(15-42)(16-38)(17-40)(18-29)(19-41)(20-32)(21-35)(22-34)(23-47)(24-32)(24-53)(25-28)(25-43)(26-28)(26-48)(27-30)(27-49)(29-39)(29-50)(30-36)(31-33)(31-52)(32-54)(33-35)(34-35)(34-42)(36-44)(37-39)(37-46)(38-40)(38-47)(40-41)(41-51)(42-52)(43-55)(44-56)(45-53)(45-58)(46-57)(47-59)(48-51)(48-55)(49-50)(49-56)(50-57)(51-59)(52-58)(53-60)(54-60)(54-62)(55-61)(56-61)(57-61)(58-61)(59-61)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.1— 10.1016/j.jorganchem.2025.1237... 2025
A2780cisR0.1— 10.1016/j.jorganchem.2025.1237... 2025
HEK2930.16— 10.1016/j.jorganchem.2025.1237... 2025
MCF-70.65— 10.1016/j.jorganchem.2025.1237... 2025
A5490.97— 10.1016/j.jorganchem.2025.1237... 2025

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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