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Complex #921 — Ru(2) [C2]

2D Structure

Structure
⬇ MOL V3000

Info

ID921
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4}
AbbreviationC2
SMILESCOc1cc(/C=C/C(=C/C(/C=C/c2ccc(O)c(OC)c2)=N/NC(=O)c2cccs2)[N-]NC(=O)c2cccs2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C41H41N4O6RuS2/(1-43)(2-57)(3-55)(4-62)(5-50)(6-51)(7-56)(8-63)(9-53)(10-60)(11-71)(12-43)(13-43)(14-71)(15-45)(16-42)(17-44)(18-42)(19-54)(20-46)(21-68)(22-47)(23-44)(24-42)(25-80)(26-52)(27-48)(28-61)(29-71)(30-44)(31-72)(32-49)(33-79)(34-58)(35-72)(36-59)(37-72)(38-84)(39-83)(40-89)(41-91)(42-64)(43-68)(44-68)(45-47)(45-65)(46-48)(46-65)(47-64)(48-64)(49-59)(49-66)(50-56)(50-76)(51-58)(51-74)(52-54)(52-82)(53-55)(53-81)(54-80)(55-79)(56-66)(57-66)(57-73)(58-67)(59-70)(60-69)(60-70)(61-62)(61-69)(62-67)(63-67)(63-75)(65-68)(69-86)(70-85)(71-90)(72-92)(73-76)(73-90)(74-75)(74-89)(75-92)(76-91)(77-81)(77-83)(77-87)(78-82)(78-84)(78-88)(79-94)(80-93)(81-94)(82-93)(83-86)(84-85)(85-95)(86-95)(91-95)(92-95)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa5.4— 10.1007/s11696-023-03026-5 2023
A5499.9— 10.1007/s11696-023-03026-5 2023

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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