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Complex #4545 — Ru(2) [[Ru(bpy)2p-FPIP]2+]

2D Structure

Structure
⬇ MOL V3000

Info

ID4545
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation[Ru(bpy)2p-FPIP]2+
SMILESO=Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H28N8ORu/(1-53)(2-35)(3-37)(4-30)(5-54)(6-29)(7-42)(8-31)(9-38)(10-43)(11-32)(12-41)(13-45)(14-68)(15-44)(16-58)(17-57)(18-55)(19-40)(20-33)(21-56)(22-48)(23-36)(24-34)(25-39)(26-47)(27-46)(28-70)(29-30)(29-53)(30-35)(31-33)(31-54)(32-34)(32-55)(33-38)(34-40)(35-61)(36-48)(36-49)(37-41)(37-50)(38-63)(39-46)(39-47)(40-64)(41-52)(42-43)(42-51)(43-58)(44-45)(44-50)(45-52)(46-56)(47-65)(48-57)(49-60)(49-62)(50-67)(51-59)(51-66)(52-68)(53-71)(54-72)(55-74)(56-75)(57-76)(58-69)(59-62)(59-69)(60-66)(60-73)(61-63)(61-71)(62-76)(63-72)(64-65)(64-74)(65-75)(66-70)(67-70)(67-73)(68-77)(71-78)(72-78)(73-78)(74-78)(75-78)(76-78)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37538— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B55— 10.1016/j.jinorgbio.2018.01.01... 2018
A37599— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B2.6e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa2.8e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
MCF-73.8e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5497.6e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5491.1e+03— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa1.6e+03— 10.1016/j.jinorgbio.2018.01.01... 2018

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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