home← all complexes Ir builderC^N familiesD-MPNN

Complex #3616 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3616
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C(/N=C(/[N-]c1ccccc1)Nc1ccccc1)c1cccs1.[Cl-]

TUCAN

C28H28N3ORuS/(1-34)(2-44)(3-41)(4-30)(5-30)(6-30)(7-50)(8-40)(9-36)(10-42)(11-46)(12-43)(13-32)(14-45)(15-35)(16-33)(17-55)(18-38)(19-39)(20-29)(21-37)(22-31)(23-31)(24-29)(25-29)(26-31)(27-47)(28-57)(29-48)(30-50)(31-50)(32-35)(32-36)(33-35)(33-46)(34-44)(34-51)(36-52)(37-38)(37-48)(38-49)(39-47)(39-49)(40-42)(40-55)(41-44)(41-45)(42-56)(43-45)(43-51)(46-52)(47-48)(49-50)(51-58)(52-57)(53-57)(53-58)(53-59)(54-56)(54-59)(54-60)(55-61)(56-61)(58-62)(59-62)(61-62)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5491.8e+02— 10.1021/acs.organomet.8b00702 2018
HepG2—— 10.1021/acs.organomet.8b00702 2018
Vero—— 10.1021/acs.organomet.8b00702 2018

🧬 Cell Death Types (1)

Apoptosis high
«The cell death mechanism of the active complexes 2 and 3 was found to be apoptosis as assessed by flow cytometry and staining methods.»

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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