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Complex #3136 — Ru(2) [Ru4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3136
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu4
SMILESc1ccc(-c2nccc3ccccc23)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C38H26N6Ru/(1-28)(2-34)(3-35)(4-27)(5-43)(6-57)(7-58)(8-30)(9-39)(10-37)(11-53)(12-54)(13-44)(14-29)(15-36)(16-32)(17-33)(18-31)(19-40)(20-55)(21-45)(22-56)(23-42)(24-41)(25-38)(26-46)(27-28)(27-53)(28-47)(29-43)(29-54)(30-32)(30-62)(31-32)(31-58)(33-40)(33-48)(34-35)(34-47)(35-49)(36-44)(36-55)(37-41)(37-50)(38-40)(38-46)(39-52)(39-57)(41-51)(42-45)(42-56)(43-49)(44-50)(45-51)(46-52)(47-59)(48-52)(48-64)(49-60)(50-61)(51-63)(53-65)(54-66)(55-67)(56-68)(57-69)(58-70)(59-60)(59-65)(60-66)(61-63)(61-67)(62-64)(62-70)(63-68)(64-69)(65-71)(66-71)(67-71)(68-71)(69-71)(70-71)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H46078 10.1016/j.ejmech.2020.112562 2020
A54979 10.1016/j.ejmech.2020.112562 2020
HeLa82 10.1016/j.ejmech.2020.112562 2020
MCF-789 10.1016/j.ejmech.2020.112562 2020
HBE98 10.1016/j.ejmech.2020.112562 2020

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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