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Complex #834 — Ru(2) [D2]

2D Structure

Structure
⬇ MOL V3000

Info

ID834
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3, "S": 2, "O": 2}
AbbreviationD2
SMILESCCNC(=S)N/N=C/C1=C(Cl)c2ccccc2OC1.CS(C)=O.CS(C)=O.[Cl-].[Cl-]

TUCAN

C17H26ClN3O3RuS3/(1-34)(2-38)(3-38)(4-36)(5-38)(6-39)(7-36)(8-29)(9-31)(10-30)(11-28)(12-39)(13-39)(14-40)(15-40)(16-40)(17-35)(18-35)(19-27)(20-27)(21-27)(22-41)(23-41)(24-41)(25-44)(26-45)(27-35)(28-29)(28-37)(29-30)(30-31)(31-33)(32-34)(32-36)(32-43)(33-37)(33-43)(34-46)(35-44)(36-49)(37-49)(38-51)(39-51)(40-52)(41-52)(42-44)(42-45)(42-50)(43-53)(45-46)(46-54)(47-51)(48-52)(49-54)(51-54)(52-54)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23172 10.1002/aoc.6750 2022
A549 10.1002/aoc.6750 2022
MCF-7 10.1002/aoc.6750 2022
HeLa 10.1002/aoc.6750 2022
MCF-10A 10.1002/aoc.6750 2022

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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