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Complex #316 — Ru(2) [RuL3]

2D Structure

Structure
⬇ MOL V3000

Info

ID316
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
AbbreviationRuL3
SMILESCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C30H28N4ORu/(1-37)(2-40)(3-30)(4-34)(5-30)(6-39)(7-29)(8-30)(9-50)(10-33)(11-31)(12-29)(13-36)(14-31)(15-31)(16-35)(17-32)(18-32)(19-32)(20-41)(21-51)(22-29)(23-42)(24-43)(25-38)(26-52)(27-60)(28-63)(29-44)(30-50)(31-50)(32-48)(33-34)(33-44)(34-47)(35-36)(35-44)(36-47)(37-41)(37-45)(38-40)(38-46)(39-48)(39-58)(40-51)(41-48)(42-43)(42-52)(43-49)(45-57)(45-58)(46-53)(46-54)(47-50)(49-55)(49-56)(51-59)(52-62)(53-55)(53-59)(54-56)(54-60)(55-62)(56-61)(57-60)(57-61)(58-63)(61-64)(62-64)(63-64)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa4.2 10.1039/c9dt00921c 2019
Caco-26.1 10.1039/d1dt01604k 2021
Caco-213 10.1039/c9dt00921c 2019
HeLa15 10.1039/d1dt01604k 2021
HEK293 10.1039/d1dt01604k 2021
HEK293 10.1039/c9dt00921c 2019

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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