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Complex #3370 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3370
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESFC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H27F3N8Ru/(1-52)(2-53)(3-28)(4-31)(5-40)(6-35)(7-38)(8-47)(9-29)(10-57)(11-54)(12-30)(13-55)(14-41)(15-56)(16-34)(17-39)(18-42)(19-44)(20-37)(21-36)(22-32)(23-33)(24-43)(25-46)(26-45)(27-69)(28-29)(28-52)(29-30)(30-58)(31-42)(31-53)(32-33)(32-48)(33-35)(34-39)(34-56)(35-38)(36-41)(36-54)(37-41)(37-60)(38-50)(39-49)(40-47)(40-51)(42-43)(43-61)(44-45)(44-46)(45-62)(46-55)(47-57)(48-50)(48-66)(49-64)(49-65)(50-67)(51-59)(51-63)(52-70)(53-71)(54-72)(55-73)(56-74)(57-68)(58-60)(58-70)(59-65)(59-69)(60-72)(61-62)(61-71)(62-73)(63-64)(63-68)(64-74)(65-75)(66-69)(66-75)(67-76)(67-77)(67-78)(70-79)(71-79)(72-79)(73-79)(74-79)(75-79)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23159— 10.1016/j.ejmech.2018.12.041 2019
MG-6370— 10.1002/cmdc.201300379 2014
HK-278— 10.1002/cmdc.201300379 2014
A54987— 10.1002/cmdc.201300379 2014
MCF-71.2e+02— 10.1002/cmdc.201300379 2014
HepG2—— 10.1016/j.ejmech.2018.12.041 2019
A549—— 10.1016/j.ejmech.2018.12.041 2019
CNE-1—— 10.1016/j.ejmech.2018.12.041 2019
HaCaT—— 10.1016/j.ejmech.2018.12.041 2019

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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