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Complex #671 — Ru(2) [α-15]

2D Structure

Structure
⬇ MOL V3000

Info

ID671
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4}
Abbreviationα-15
SMILESCC(=O)O[C@H]1O[C@H](CF)[C@@H](F)[C@H](OC(C)=O)[C@H]1/N=N/N=N/[C@H]1[C@@H](OC(C)=O)O[C@H](CF)[C@@H](F)[C@@H]1OC(C)=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C30H41F4N4O10Ru/(1-49)(2-42)(3-42)(4-42)(5-59)(6-43)(7-43)(8-68)(9-43)(10-48)(11-49)(12-44)(13-58)(14-44)(15-47)(16-44)(17-48)(18-49)(19-45)(20-45)(21-70)(22-45)(23-46)(24-68)(25-46)(26-48)(27-60)(28-46)(29-50)(30-50)(31-50)(32-71)(33-47)(34-47)(35-61)(36-56)(37-69)(38-57)(39-69)(40-66)(41-67)(42-51)(43-52)(44-53)(45-54)(46-55)(47-62)(48-63)(49-64)(50-65)(51-52)(51-53)(52-54)(53-55)(54-55)(56-59)(56-66)(56-72)(57-60)(57-67)(57-74)(58-68)(58-70)(58-81)(59-70)(59-80)(60-71)(60-83)(61-69)(61-71)(61-84)(62-76)(62-82)(63-77)(63-80)(64-78)(64-83)(65-79)(65-85)(66-81)(66-82)(67-84)(67-85)(68-87)(69-89)(70-86)(71-88)(72-73)(73-75)(74-75)(74-90)(75-90)(84-90)(85-90)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2314.8 10.1002/aoc.7399 2024
SK-OV-334 10.1002/aoc.7399 2024
HEK2931.2e+02 10.1002/aoc.7399 2024
A27801.4e+02 10.1002/aoc.7399 2024

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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