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Complex #4106 — Ru(2) [Ru(bpy)2MDPPZ]

2D Structure

Structure
⬇ MOL V3000

Info

ID4106
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu(bpy)2MDPPZ
SMILESCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H28N8Ru/(1-38)(2-31)(3-46)(4-52)(5-34)(6-53)(7-30)(8-32)(9-37)(10-39)(11-33)(12-40)(13-48)(14-47)(15-54)(16-56)(17-42)(18-41)(19-29)(20-35)(21-55)(22-36)(23-44)(24-43)(25-45)(26-57)(27-29)(28-29)(29-49)(30-31)(30-52)(31-34)(32-39)(32-40)(33-41)(33-43)(34-58)(35-48)(35-49)(36-38)(36-55)(37-49)(37-60)(38-50)(39-59)(40-53)(41-56)(42-44)(42-45)(43-61)(44-57)(45-65)(46-47)(46-51)(47-54)(48-67)(50-63)(50-66)(51-62)(51-64)(52-70)(53-71)(54-69)(55-75)(56-72)(57-73)(58-59)(58-70)(59-71)(60-67)(60-68)(61-65)(61-72)(62-66)(62-69)(63-64)(63-74)(64-68)(65-73)(66-75)(67-74)(70-76)(71-76)(72-76)(73-76)(74-76)(75-76)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-79.7— 10.1016/j.csbj.2018.11.010 2019
A54993— 10.1016/j.csbj.2018.11.010 2019
MDA-MB-231—— 10.1016/j.csbj.2018.11.010 2019
HepG2—— 10.1016/j.csbj.2018.11.010 2019
HaCaT—— 10.1016/j.csbj.2018.11.010 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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