home← all complexes Ir builderC^N familiesD-MPNN

Complex #2441 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2441
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4, "O": 1}
Abbreviation4
SMILES[N-]=[N+]=[N-].[O-]C(=NN=Cc1ccc2ccc3cccc4ccc1c2c34)c1cccs1.c1ccccc1

TUCAN

C28H19N5ORuS/(1-20)(2-21)(3-22)(4-23)(5-26)(6-32)(7-30)(8-36)(9-44)(10-28)(11-35)(12-31)(13-29)(14-25)(15-46)(16-24)(17-33)(18-34)(19-27)(20-21)(20-22)(21-23)(22-26)(23-27)(24-25)(24-46)(25-47)(26-27)(28-33)(28-40)(29-32)(29-39)(30-31)(30-39)(31-38)(32-37)(33-34)(34-37)(35-36)(35-40)(36-42)(37-41)(38-42)(38-44)(39-43)(40-41)(41-43)(42-43)(44-50)(45-47)(45-51)(45-53)(46-54)(47-54)(48-52)(49-52)(50-51)(50-55)(51-55)(52-55)(54-55)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A43114— 10.1039/d1dt04093f 2022
MCF-716— 10.1039/d1dt04093f 2022
HeLa20— 10.1039/d1dt04093f 2022
HEK29350— 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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