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Complex #2589 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2589
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation3
SMILESNc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C42H28N10Ru/(1-53)(2-54)(3-31)(4-29)(5-33)(6-30)(7-34)(8-55)(9-43)(10-42)(11-58)(12-39)(13-35)(14-57)(15-44)(16-40)(17-41)(18-32)(19-46)(20-56)(21-36)(22-37)(23-38)(24-45)(25-72)(26-72)(27-71)(28-71)(29-33)(29-47)(30-34)(30-48)(31-32)(31-47)(32-48)(33-53)(34-54)(35-37)(35-57)(36-43)(36-56)(37-49)(38-45)(38-51)(39-40)(39-55)(40-51)(41-44)(41-52)(42-63)(42-68)(43-50)(44-58)(45-52)(46-64)(46-70)(47-59)(48-60)(49-61)(49-66)(50-67)(50-69)(51-62)(52-65)(53-75)(54-76)(55-77)(56-78)(57-74)(58-79)(59-60)(59-75)(60-76)(61-67)(61-73)(62-65)(62-77)(63-70)(63-80)(64-68)(64-71)(65-79)(66-69)(66-74)(67-80)(68-72)(69-78)(70-73)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740211— 10.1007/s11243-013-9724-6 2013
MG-6312— 10.1007/s11243-013-9724-6 2013
SK-BR-318— 10.1007/s11243-013-9724-6 2013
A54926— 10.1007/s11243-013-9724-6 2013

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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