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Complex #4220 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4220
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
Abbreviation4
SMILESO=Cc1c[c-]c(-n2cccn2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C34H23N6ORu/(1-46)(2-28)(3-48)(4-26)(5-30)(6-25)(7-32)(8-31)(9-50)(10-27)(11-34)(12-37)(13-29)(14-57)(15-33)(16-49)(17-36)(18-51)(19-35)(20-39)(21-38)(22-40)(23-47)(24-31)(24-56)(25-28)(25-41)(26-27)(26-41)(27-42)(28-46)(29-36)(29-43)(30-34)(30-48)(31-45)(32-47)(32-50)(33-40)(33-45)(34-42)(35-37)(35-49)(36-44)(37-43)(38-39)(38-44)(39-51)(40-56)(41-52)(42-53)(43-54)(44-55)(45-57)(46-59)(47-63)(48-60)(49-61)(50-58)(51-62)(52-53)(52-59)(53-60)(54-55)(54-61)(55-62)(56-58)(57-64)(58-63)(59-65)(60-65)(61-65)(62-65)(63-65)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR0.12— 10.1002/chem.201703581 2017
A27800.21— 10.1002/chem.201703581 2017
MCF-70.72— 10.1002/chem.201703581 2017
HCT-1160.78— 10.1002/chem.201703581 2017
MRC-58.8— 10.1002/chem.201703581 2017

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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