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Complex #3815 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3815
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
Abbreviation4
SMILESOc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1

TUCAN

C38H25N9ORu/(1-38)(2-36)(3-49)(4-44)(5-34)(6-29)(7-27)(8-35)(9-37)(10-26)(11-48)(12-43)(13-39)(14-33)(15-40)(16-32)(17-30)(18-31)(19-42)(20-41)(21-28)(22-68)(23-66)(24-67)(25-73)(26-31)(26-36)(27-30)(27-54)(28-31)(28-50)(29-38)(29-39)(30-37)(32-37)(32-53)(33-43)(33-46)(34-35)(34-47)(35-48)(36-57)(38-55)(39-56)(40-41)(40-45)(41-42)(42-44)(43-49)(44-63)(45-61)(45-63)(46-51)(46-58)(47-52)(47-59)(48-65)(49-72)(50-57)(50-66)(51-52)(51-70)(52-68)(53-54)(53-64)(54-67)(55-60)(55-69)(56-62)(56-69)(57-71)(58-59)(58-72)(59-65)(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
MCF-718— 10.1039/c4dt01392a 2014
A37531— 10.1039/c4dt01392a 2014
HeLa63— 10.1039/c4dt01392a 2014
HepG268— 10.1039/c4dt01392a 2014
HUVEC1.4e+02— 10.1039/c4dt01392a 2014
HK-21.9e+02— 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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