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Complex #2074 — Ru(2) [RuBmp]

2D Structure

Structure
⬇ MOL V3000

Info

ID2074
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
AbbreviationRuBmp
SMILESCc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1.[Cl-].c1cnc2c(c1)ccc1cccnc12

TUCAN

C33H25N7Ru/(1-26)(2-37)(3-33)(4-47)(5-28)(6-26)(7-26)(8-27)(9-29)(10-27)(11-27)(12-40)(13-31)(14-48)(15-30)(16-39)(17-32)(18-36)(19-41)(20-35)(21-42)(22-38)(23-34)(24-60)(25-61)(26-44)(27-45)(28-31)(28-47)(29-32)(29-48)(30-34)(30-43)(31-43)(32-46)(33-44)(33-52)(34-46)(35-37)(35-50)(36-42)(36-51)(37-44)(38-39)(38-55)(39-45)(40-45)(40-53)(41-42)(41-56)(43-49)(46-54)(47-63)(48-64)(49-54)(49-63)(50-52)(50-62)(51-57)(51-59)(52-60)(53-55)(53-61)(54-64)(55-65)(56-58)(56-59)(57-60)(57-62)(58-61)(58-65)(62-66)(63-66)(64-66)(65-66)

Measurements (12)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37525— 10.1039/c1dt11950h 2012
MCF-726— 10.1002/asia.201501048 2016
R-HepG-237— 10.1002/asia.201501048 2016
MCF-745— 10.1039/c1dt11950h 2012
HeLa48— 10.1039/c1dt11950h 2012
PC-350— 10.1039/c1dt11950h 2012
Neuro-2a50— 10.1002/asia.201501048 2016
Neuro-2a50— 10.1039/c1dt11950h 2012
MCF-752— 10.1002/asia.201501048 2016
MCF-781— 10.1002/asia.201501048 2016
HepG2—— 10.1002/asia.201501048 2016
Hs68—— 10.1039/c1dt11950h 2012

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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