home← all complexes Ir builderC^N familiesD-MPNN

Complex #741 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID741
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 6}
Abbreviation1
SMILES[O-]c1ccccc1C=Nc1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C32H25N6ORu/(1-46)(2-26)(3-47)(4-49)(5-50)(6-27)(7-28)(8-33)(9-37)(10-51)(11-32)(12-40)(13-29)(14-31)(15-30)(16-38)(17-44)(18-39)(19-34)(20-35)(21-41)(22-42)(23-43)(24-48)(25-36)(26-27)(26-46)(27-31)(28-29)(28-47)(29-35)(30-32)(30-41)(31-52)(32-49)(33-37)(33-45)(34-39)(34-51)(35-53)(36-39)(36-56)(37-38)(38-44)(40-42)(40-50)(41-54)(42-43)(43-55)(44-57)(45-48)(45-57)(46-58)(47-59)(48-63)(49-60)(50-61)(51-62)(52-53)(52-58)(53-59)(54-55)(54-60)(55-61)(56-62)(56-63)(57-64)(58-65)(59-65)(60-65)(61-65)(62-65)(63-65)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
EVSA-T2.9 10.1021/acs.inorgchem.1c03399 2022
M1910 10.1021/acs.inorgchem.1c03399 2022
MCF-711 10.1021/acs.inorgchem.1c03399 2022
WiDr15 10.1021/acs.inorgchem.1c03399 2022
IGROV-117 10.1021/acs.inorgchem.1c03399 2022
NCI-H22632 10.1021/acs.inorgchem.1c03399 2022
A49851 10.1021/acs.inorgchem.1c03399 2022

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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