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Complex #767 — Ru(2) [RuL3]

2D Structure

Structure
⬇ MOL V3000

Info

ID767
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
AbbreviationRuL3
SMILESCCN1c2ccccc2Sc2cc(/C=N\Nc3nc(C)cs3)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C29H32N4RuS2/(1-53)(2-34)(3-33)(4-34)(5-37)(6-37)(7-52)(8-38)(9-33)(10-33)(11-35)(12-35)(13-35)(14-39)(15-44)(16-40)(17-34)(18-54)(19-54)(20-36)(21-36)(22-47)(23-48)(24-46)(25-58)(26-43)(27-41)(28-45)(29-42)(30-37)(31-36)(32-63)(33-52)(34-49)(35-52)(36-54)(37-56)(38-39)(38-50)(39-49)(40-44)(40-49)(41-51)(41-59)(42-43)(42-51)(43-55)(44-50)(45-46)(45-60)(46-47)(47-48)(48-57)(50-52)(51-53)(53-65)(54-62)(55-59)(55-62)(56-58)(56-64)(57-60)(57-62)(58-67)(59-66)(60-66)(61-63)(61-64)(61-67)(63-65)(64-68)(65-68)(66-68)(67-68)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.019 10.3390/inorganics12110287 2024
Hs578T0.095 10.3390/inorganics12110287 2024
fR21.3 10.3390/inorganics12110287 2024
MDA-MB-23114 10.3390/inorganics12110287 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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