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Complex #790 — Ru(2) [aL2]

2D Structure

Structure
⬇ MOL V3000

Info

ID790
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2, "S": 1}
AbbreviationaL2
SMILESCCS(=O)(=O)/N=C(\[S-])Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C19H25N2O2RuS2/(1-26)(2-30)(3-26)(4-26)(5-28)(6-28)(7-31)(8-28)(9-41)(10-27)(11-27)(12-35)(13-32)(14-36)(15-43)(16-33)(17-27)(18-37)(19-38)(20-29)(21-43)(22-34)(23-29)(24-29)(25-45)(26-41)(27-40)(28-41)(29-43)(30-31)(30-40)(31-39)(32-33)(32-35)(33-42)(34-36)(34-42)(35-36)(37-38)(37-40)(38-39)(39-41)(42-45)(43-50)(44-45)(44-46)(44-49)(46-50)(46-51)(47-50)(48-50)(50-51)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW48039 10.1039/d4dt02733g 2024
HCT-11644 10.1039/d4dt02733g 2024
NCI-H46069 10.1039/d4dt02733g 2024
SiHa84 10.1039/d4dt02733g 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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