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Complex #3813 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3813
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
Abbreviation2
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1

TUCAN

C38H25N9ORu/(1-39)(2-32)(3-40)(4-27)(5-37)(6-43)(7-38)(8-26)(9-36)(10-48)(11-33)(12-49)(13-41)(14-34)(15-35)(16-31)(17-29)(18-30)(19-44)(20-42)(21-28)(22-68)(23-66)(24-67)(25-73)(26-30)(26-32)(27-29)(27-56)(28-30)(28-50)(29-38)(31-38)(31-55)(32-53)(33-37)(33-46)(34-35)(34-49)(35-45)(36-44)(36-47)(37-48)(39-40)(39-57)(40-41)(41-54)(42-43)(42-47)(43-63)(44-63)(45-52)(45-59)(46-51)(46-58)(47-61)(48-65)(49-72)(50-53)(50-66)(51-52)(51-68)(52-70)(53-71)(54-62)(54-69)(55-56)(55-64)(56-67)(57-60)(57-69)(58-59)(58-65)(59-72)(60-64)(60-67)(61-68)(61-70)(62-66)(62-71)(63-73)(69-74)(70-74)(71-74)(72-74)(73-74)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37578 10.1039/c4dt01392a 2014
HepG21.3e+02 10.1039/c4dt01392a 2014
MCF-71.3e+02 10.1039/c4dt01392a 2014
HeLa 10.1039/c4dt01392a 2014
HUVEC 10.1039/c4dt01392a 2014
HK-2 10.1039/c4dt01392a 2014

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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