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Complex #2701 — Ru(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2701
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 3, "S": 1, "P": 1}
Abbreviation2
SMILESCN/C([S-])=N/N=C1\C=Cc2ccccc2C1=O.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C30H25N3OPRuS/(1-26)(2-28)(3-27)(4-29)(5-36)(6-34)(7-30)(8-35)(9-39)(10-41)(11-37)(12-44)(13-45)(14-46)(15-32)(16-38)(17-42)(18-43)(19-33)(20-40)(21-31)(22-49)(23-49)(24-49)(25-56)(26-28)(26-52)(27-29)(27-52)(28-34)(29-34)(30-36)(30-53)(31-32)(31-33)(32-44)(33-47)(35-36)(35-39)(37-39)(37-53)(38-41)(38-54)(40-41)(40-43)(42-43)(42-54)(44-48)(45-46)(45-48)(46-50)(47-48)(47-51)(49-56)(50-51)(50-58)(51-59)(52-60)(53-60)(54-60)(55-56)(55-57)(55-61)(57-58)(57-62)(58-62)(60-62)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-743 10.1007/s00706-013-1097-1 2013
A43189 10.1007/s00706-013-1097-1 2013

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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