home← all complexes Ir builderC^N familiesD-MPNN

Complex #2438 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2438
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 2}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.[Cl-].[O-]C(=NN=Cc1ccc2ccc3cccc4ccc1c2c34)c1cccs1

TUCAN

C32H27N2ORuS/(1-33)(2-42)(3-28)(4-29)(5-29)(6-28)(7-43)(8-44)(9-39)(10-31)(11-38)(12-40)(13-41)(14-56)(15-32)(16-37)(17-58)(18-29)(19-30)(20-55)(21-35)(22-28)(23-34)(24-30)(25-30)(26-45)(27-36)(28-48)(29-55)(30-55)(31-32)(31-50)(32-52)(33-41)(33-46)(34-35)(34-48)(35-49)(36-45)(36-49)(37-44)(37-52)(38-44)(38-51)(39-43)(39-59)(40-42)(40-46)(41-47)(42-51)(43-58)(45-48)(46-54)(47-50)(47-56)(49-55)(50-54)(51-53)(52-53)(53-54)(56-60)(57-59)(57-61)(57-62)(58-63)(59-63)(60-61)(60-64)(61-64)(63-64)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-76.5— 10.1039/d1dt04093f 2022
HEK29336— 10.1039/d1dt04093f 2022
HeLa—— 10.1039/d1dt04093f 2022
A431—— 10.1039/d1dt04093f 2022

🧬 Cell Death Types (1)

Apoptosis high
«The Hoechst/PI dual staining method confirmed the apoptosis mode of cell death.»

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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