home← all complexes Ir builderC^N familiesD-MPNN

Complex #101 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID101
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 2}
Abbreviation4
SMILESCc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccccc1

TUCAN

C32H29N2ORu/(1-35)(2-43)(3-44)(4-31)(5-38)(6-39)(7-31)(8-41)(9-36)(10-49)(11-34)(12-46)(13-37)(14-42)(15-45)(16-60)(17-33)(18-47)(19-48)(20-31)(21-50)(22-30)(23-32)(24-32)(25-30)(26-30)(27-32)(28-59)(29-40)(30-53)(31-59)(32-59)(33-35)(33-37)(34-36)(34-49)(35-52)(36-41)(37-43)(38-39)(38-53)(39-54)(40-50)(40-54)(41-57)(42-56)(42-58)(43-56)(44-48)(44-55)(45-47)(45-48)(46-49)(46-57)(47-58)(50-53)(51-52)(51-55)(51-60)(52-56)(54-59)(55-58)(57-61)(60-62)(61-63)(61-64)(62-63)(62-65)(63-65)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23110 10.1039/c6qi00197a 2016
HepG212 10.1039/c6qi00197a 2016
HeLa19 10.1039/c6qi00197a 2016
NIH-3T32.4e+02 10.1039/c6qi00197a 2016

🧬 Cell Death Types (1)

Apoptosis high
«Furthermore, the results of AO–EB, Hoechst 33258 and flow cytometry analyses reveal that these complexes induce cell death only through apoptosis.»

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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