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Complex #793 — Ru(2) [MPD1]

2D Structure

Structure
⬇ MOL V3000

Info

ID793
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationMPD1
SMILESO=C1c2cccnc2-c2ncccc21.[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

TUCAN

C32H21N5ORu/(1-28)(2-35)(3-32)(4-22)(5-44)(6-33)(7-43)(8-26)(9-25)(10-23)(11-31)(12-29)(13-34)(14-24)(15-36)(16-30)(17-45)(18-38)(19-27)(20-46)(21-37)(22-40)(22-51)(23-24)(23-33)(24-49)(25-27)(25-41)(26-28)(26-32)(27-45)(28-34)(29-30)(29-43)(30-35)(31-40)(31-52)(32-36)(33-44)(34-39)(35-50)(36-39)(37-38)(37-46)(38-42)(39-40)(41-47)(41-53)(42-48)(42-53)(43-54)(44-56)(45-57)(46-58)(47-48)(47-57)(48-58)(49-52)(49-56)(50-51)(50-54)(51-55)(52-55)(53-59)(55-60)(56-60)(57-60)(58-60)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-231 10.1039/d4dt02562h 2024
A278011 10.1039/d4dt02562h 2024
A549 10.1039/d4dt02562h 2024
MRC-5 10.1039/d4dt02562h 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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