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Complex #2302 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2302
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESNc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H30N10Ru/(1-53)(2-31)(3-54)(4-55)(5-56)(6-34)(7-32)(8-36)(9-38)(10-49)(11-43)(12-45)(13-44)(14-57)(15-41)(16-47)(17-40)(18-46)(19-58)(20-42)(21-35)(22-33)(23-37)(24-39)(25-48)(26-70)(27-73)(28-70)(29-71)(30-71)(31-32)(31-53)(32-33)(33-59)(34-38)(34-54)(35-63)(35-66)(36-44)(36-50)(37-38)(37-60)(39-41)(39-64)(40-41)(40-55)(42-49)(42-58)(43-45)(43-51)(44-57)(45-66)(46-47)(46-56)(47-48)(48-65)(49-52)(50-67)(50-68)(51-63)(51-69)(52-61)(52-62)(53-74)(54-75)(55-76)(56-77)(57-72)(58-79)(59-60)(59-74)(60-75)(61-67)(61-79)(62-68)(62-78)(63-70)(64-65)(64-76)(65-77)(66-71)(67-72)(68-73)(69-73)(69-78)(74-80)(75-80)(76-80)(77-80)(78-80)(79-80)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG253 10.1016/j.ejmech.2011.04.049 2011
MCF-778 10.1016/j.ejmech.2011.04.049 2011
BEL-74021.1e+02 10.1016/j.ejmech.2011.04.049 2011

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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