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Complex #2583 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2583
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H28N8O2Ru/(1-51)(2-29)(3-32)(4-34)(5-52)(6-30)(7-53)(8-37)(9-42)(10-33)(11-54)(12-41)(13-40)(14-55)(15-56)(16-38)(17-31)(18-35)(19-36)(20-39)(21-47)(22-44)(23-43)(24-46)(25-45)(26-69)(27-77)(28-76)(29-30)(29-51)(30-31)(31-57)(32-37)(32-52)(33-34)(33-55)(34-48)(35-37)(35-59)(36-38)(36-53)(38-44)(39-47)(39-56)(40-41)(40-49)(41-67)(42-49)(42-66)(43-46)(43-54)(44-60)(45-46)(45-61)(47-50)(48-62)(48-64)(49-65)(50-58)(50-63)(51-70)(52-71)(53-72)(54-73)(55-68)(56-75)(57-59)(57-70)(58-64)(58-74)(59-71)(60-61)(60-72)(61-73)(62-63)(62-68)(63-75)(64-69)(65-69)(65-74)(66-67)(66-76)(67-77)(70-78)(71-78)(72-78)(73-78)(74-78)(75-78)(76-78)(77-78)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa26 10.1039/c4md00201f 2014
MCF-732 10.1039/c4md00201f 2014
HepG243 10.1039/c4md00201f 2014
A54972 10.1039/c4md00201f 2014
SW62083 10.1039/c4md00201f 2014
Hs68 10.1039/c4md00201f 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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