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Complex #789 — Ru(2) [aL1]

2D Structure

Structure
⬇ MOL V3000

Info

ID789
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2, "S": 1}
AbbreviationaL1
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)cc1.[Cl-]

TUCAN

C24H27N2O2RuS2/(1-31)(2-31)(3-39)(4-29)(5-29)(6-28)(7-28)(8-29)(9-48)(10-31)(11-44)(12-38)(13-34)(14-33)(15-40)(16-32)(17-41)(18-42)(19-30)(20-37)(21-43)(22-28)(23-35)(24-30)(25-36)(26-30)(27-52)(28-45)(29-48)(30-48)(31-46)(32-39)(32-50)(33-34)(33-41)(34-38)(35-37)(35-45)(36-43)(36-45)(37-47)(38-49)(39-46)(40-41)(40-49)(42-44)(42-50)(43-47)(44-46)(47-48)(49-52)(50-57)(51-52)(51-53)(51-56)(53-57)(53-58)(54-57)(55-57)(57-58)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW48030 10.1039/d4dt02733g 2024
HCT-11660 10.1039/d4dt02733g 2024
SiHa73 10.1039/d4dt02733g 2024
NCI-H46081 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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