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Complex #1967 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1967
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationRu1
SMILESc1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)[nH]c1cnccc12

TUCAN

C36H27N7Ru/(1-28)(2-29)(3-31)(4-36)(5-54)(6-30)(7-43)(8-45)(9-44)(10-40)(11-32)(12-41)(13-37)(14-55)(15-33)(16-46)(17-52)(18-51)(19-50)(20-38)(21-39)(22-42)(23-53)(24-47)(25-35)(26-34)(27-65)(28-29)(28-36)(29-50)(30-48)(30-54)(31-42)(31-43)(32-44)(32-61)(33-34)(33-46)(34-60)(35-40)(35-47)(36-56)(37-38)(37-41)(38-53)(39-43)(39-49)(40-62)(41-57)(42-58)(44-45)(45-52)(46-59)(47-51)(48-49)(48-63)(49-58)(50-66)(51-70)(52-64)(53-69)(54-67)(55-63)(55-67)(56-57)(56-66)(57-69)(58-65)(59-62)(59-68)(60-61)(60-68)(61-64)(62-70)(63-65)(66-71)(67-71)(68-71)(69-71)(70-71)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37534— 10.1016/j.ejmech.2013.09.051 2013
BEL-740243— 10.1016/j.ejmech.2013.09.051 2013
HepG246— 10.1016/j.ejmech.2013.09.051 2013
MCF-748— 10.1016/j.ejmech.2013.09.051 2013
HeLa48— 10.1016/j.ejmech.2013.09.051 2013
NCI-H46048— 10.1016/j.ejmech.2013.09.051 2013
A54952— 10.1016/j.ejmech.2013.09.051 2013
HCT-11658— 10.1016/j.ejmech.2013.09.051 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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