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Complex #584 — Ru(2) [[RuLPTA]]

2D Structure

Structure
⬇ MOL V3000

Info

ID584
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7, "P": 1}
Abbreviation[RuLPTA]
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.NCCNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O.[Cl-]

TUCAN

C36H50N7O3PRu/(1-74)(2-80)(3-74)(4-71)(5-75)(6-80)(7-55)(8-71)(9-59)(10-72)(11-60)(12-54)(13-51)(14-51)(15-51)(16-52)(17-52)(18-62)(19-52)(20-61)(21-77)(22-77)(23-84)(24-78)(25-78)(26-72)(27-70)(28-75)(29-56)(30-81)(31-73)(32-70)(33-57)(34-73)(35-58)(36-81)(37-84)(38-85)(39-85)(40-86)(41-86)(42-79)(43-79)(44-53)(45-53)(46-53)(47-69)(48-87)(49-88)(50-87)(51-68)(52-69)(53-69)(54-60)(54-68)(55-58)(55-59)(56-57)(56-66)(57-76)(58-63)(59-65)(60-67)(61-62)(61-68)(62-67)(63-64)(63-82)(64-65)(64-66)(65-76)(66-83)(67-69)(70-72)(70-93)(71-80)(71-93)(72-89)(73-81)(73-93)(74-75)(74-88)(75-87)(76-88)(77-90)(77-92)(78-90)(78-91)(79-91)(79-92)(80-96)(81-96)(82-89)(82-94)(83-89)(83-95)(84-90)(84-97)(85-91)(85-97)(86-92)(86-97)(96-98)(97-98)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa5315 10.1039/d0dt02967j 2021
NRK69 10.1039/d0dt02967j 2021
A4989517 10.1039/d0dt02967j 2021
MCF-730 10.1039/d0dt02967j 2021

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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