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Complex #4526 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4526
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1, "O": 1}
Abbreviation2
SMILESCOc1ccc(/N=C/c2ccccc2[O-])cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C25H28NO3Ru/(1-29)(2-36)(3-29)(4-32)(5-29)(6-38)(7-31)(8-49)(9-49)(10-30)(11-30)(12-30)(13-37)(14-46)(15-42)(16-35)(17-34)(18-50)(19-50)(20-47)(21-40)(22-41)(23-39)(24-31)(25-31)(26-49)(27-33)(28-50)(29-46)(30-46)(31-44)(32-36)(32-43)(33-48)(33-51)(34-35)(34-45)(35-42)(36-44)(37-38)(37-43)(38-44)(39-42)(39-53)(40-41)(40-48)(41-52)(43-46)(45-47)(45-53)(47-54)(48-54)(49-56)(50-57)(51-52)(51-56)(52-57)(53-55)(54-58)(57-58)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23112— 10.1021/acs.inorgchem.9b00853 2019
MIA PaCa-212— 10.1021/acs.inorgchem.9b00853 2019
HepG217— 10.1021/acs.inorgchem.9b00853 2019

🧬 Cell Death Types (1)

Apoptosis high
«Both 1 and 3 induced apoptosis as per the Annexin-V/PE and 7AAD double-staining assay in MDA-MB-231 cells. The IC50 as well as the sub-IC50 dose showed that cell killing occurs through apoptosis. 1 in...»

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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