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Complex #4446 — Ru(2) [RuCp]

2D Structure

Structure
⬇ MOL V3000

Info

ID4446
MetalRu
Oxidation state2
Charge0
Donor atoms{"P": 2}
AbbreviationRuCp
SMILES[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C41H35P2Ru/(1-43)(2-41)(3-44)(4-42)(5-47)(6-45)(7-49)(8-51)(9-53)(10-54)(11-50)(12-46)(13-55)(14-57)(15-60)(16-48)(17-52)(18-56)(19-36)(20-58)(21-63)(22-37)(23-59)(24-65)(25-61)(26-66)(27-68)(28-62)(29-64)(30-67)(31-70)(32-69)(33-38)(34-39)(35-40)(36-37)(36-38)(37-39)(38-40)(39-40)(41-43)(41-44)(42-43)(42-47)(44-71)(45-46)(45-49)(46-51)(47-71)(48-53)(48-54)(49-72)(50-51)(50-72)(52-57)(52-60)(53-55)(54-56)(55-73)(56-73)(57-58)(58-74)(59-63)(59-65)(60-61)(61-74)(62-63)(62-75)(64-65)(64-75)(66-68)(66-69)(67-68)(67-76)(69-70)(70-76)(71-77)(72-77)(73-77)(74-78)(75-78)(76-78)(77-79)(78-79)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.3— 10.3390/molecules23061471 2018
A2780cisR2.3— 10.3390/molecules23061471 2018
CAL-722.4— 10.3390/molecules23061471 2018
MCF-74.4— 10.3390/molecules23061471 2018
Caco-215— 10.3390/molecules23061471 2018

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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