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Complex #3399 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3399
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 2, "P": 1}
Abbreviation4
SMILESCOC(=O)c1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

TUCAN

C36H27O2PRu/(1-35)(2-33)(3-34)(4-42)(5-28)(6-44)(7-47)(8-36)(9-41)(10-29)(11-40)(12-31)(13-39)(14-43)(15-32)(16-38)(17-50)(18-37)(19-30)(20-45)(21-48)(22-46)(23-49)(24-59)(25-59)(26-59)(27-51)(28-30)(28-57)(29-31)(29-33)(30-61)(31-32)(32-36)(33-62)(34-40)(34-58)(35-37)(35-58)(36-62)(37-57)(38-43)(38-50)(39-42)(39-56)(40-41)(41-56)(42-55)(43-63)(44-47)(44-54)(45-48)(45-63)(46-47)(46-51)(48-50)(49-51)(49-54)(52-53)(52-56)(52-58)(53-55)(53-57)(54-60)(55-61)(59-65)(60-64)(60-65)(61-66)(62-66)(63-66)(65-67)(66-67)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW6208.2— 10.1021/acs.inorgchem.8b02541 2018
A37515— 10.1021/acs.inorgchem.8b02541 2018
MCF-10A17— 10.1021/acs.inorgchem.8b02541 2018
MCF-719— 10.1021/acs.inorgchem.8b02541 2018
A54923— 10.1021/acs.inorgchem.8b02541 2018

🧬 Cell Death Types (1)

Apoptosis high
«Complexes 1−6 are all capable of inducing apoptosis, but with various degrees of magnitude.»

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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