home← all complexes Ir builderC^N familiesD-MPNN

Complex #228 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID228
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1

TUCAN

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

Measurements (20)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR101.7 10.1002/cbic.202400801 2024
A54940— 10.1002/chem.201404922 2014
A549cisR62— 10.1002/chem.201404922 2014
A549cisR72— 10.1002/chem.201404922 2014
HeLa76— 10.1002/chem.201404922 2014
A54978— 10.1002/chem.201404922 2014
MCF-780— 10.1002/chem.201404922 2014
LO285— 10.1002/chem.201404922 2014
LO294— 10.1002/chem.201404922 2014
A549cisR95— 10.1002/chem.201404922 2014
HeLa96— 10.1002/chem.201404922 2014
MDA-MB-231—— 10.1021/acs.jmedchem.3c00322 2023
HeLa—— 10.1002/chem.201404922 2014
MCF-7—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014
A549—— 10.1002/chem.201404922 2014
LO2—— 10.1002/chem.201404922 2014
MCF-7—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014

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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.