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Complex #2864 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2864
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation3
SMILESNc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C43H29N9Ru/(1-36)(2-32)(3-57)(4-40)(5-30)(6-31)(7-38)(8-33)(9-41)(10-58)(11-43)(12-49)(13-42)(14-39)(15-59)(16-34)(17-60)(18-45)(19-48)(20-46)(21-44)(22-61)(23-35)(24-37)(25-62)(26-47)(27-73)(28-73)(29-75)(30-31)(30-57)(31-50)(32-40)(32-50)(33-38)(33-51)(34-37)(34-60)(35-36)(35-61)(36-53)(37-52)(38-58)(39-41)(39-59)(40-51)(41-54)(42-43)(42-56)(43-49)(44-47)(44-54)(45-46)(45-62)(46-55)(47-55)(48-56)(48-71)(49-71)(50-63)(51-64)(52-66)(52-68)(53-67)(53-70)(54-65)(55-69)(56-72)(57-76)(58-77)(59-78)(60-74)(61-81)(62-80)(63-64)(63-76)(64-77)(65-69)(65-78)(66-67)(66-75)(67-79)(68-70)(68-74)(69-80)(70-81)(71-73)(72-75)(72-79)(76-82)(77-82)(78-82)(79-82)(80-82)(81-82)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740219 10.1089/dna.2009.0979 2010
MCF-727 10.1089/dna.2009.0979 2010
C628 10.1089/dna.2009.0979 2010
HepG231 10.1089/dna.2009.0979 2010

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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