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Complex #1843 — Ru(2) [2d]

2D Structure

Structure
⬇ MOL V3000

Info

ID1843
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 1}
Abbreviation2d
SMILESCOC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C27H28NO5RuS/(1-32)(2-33)(3-49)(4-29)(5-31)(6-34)(7-29)(8-36)(9-37)(10-29)(11-35)(12-30)(13-30)(14-30)(15-31)(16-38)(17-50)(18-50)(19-44)(20-52)(21-52)(22-52)(23-41)(24-39)(25-31)(26-40)(27-42)(28-43)(29-49)(30-49)(31-47)(32-33)(32-47)(33-45)(34-35)(34-45)(35-47)(36-37)(36-38)(37-43)(38-46)(39-43)(39-46)(40-42)(40-55)(41-42)(41-44)(44-48)(45-49)(46-50)(48-53)(48-55)(50-56)(51-53)(51-54)(51-56)(52-61)(53-57)(54-58)(54-61)(55-62)(56-62)(59-62)(60-62)(61-63)(62-63)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11680— 10.1021/om500825h 2014
MDA-MB-231—— 10.1021/om500825h 2014

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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