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Complex #3218 — Ru(2) [C1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3218
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 8}
AbbreviationC1
SMILESCCNC(=S)NN=Cc1c[nH]c2ccccc12.CCNC(=S)NN=Cc1c[nH]c2ccccc12.[Cl-].c1ccccc1

TUCAN

C30H34N8RuS2/(1-43)(2-37)(3-38)(4-39)(5-59)(6-56)(7-42)(8-35)(9-41)(10-59)(11-40)(12-35)(13-35)(14-50)(15-44)(16-45)(17-46)(18-55)(19-36)(20-49)(21-36)(22-60)(23-58)(24-57)(25-48)(26-60)(27-47)(28-36)(29-67)(30-65)(31-68)(32-69)(33-70)(34-66)(35-59)(36-60)(37-38)(37-39)(38-44)(39-45)(40-42)(40-43)(41-43)(41-61)(42-51)(44-46)(45-46)(47-49)(47-50)(48-49)(48-52)(50-62)(51-53)(51-61)(52-54)(52-62)(53-55)(53-56)(54-57)(54-58)(55-67)(56-71)(57-72)(58-68)(59-65)(60-66)(61-67)(62-68)(63-65)(63-69)(63-73)(64-66)(64-70)(64-74)(69-71)(70-72)(71-75)(72-75)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—— 10.1021/acs.organomet.2c00604 2023
MDA-MB-231—— 10.1021/acs.organomet.2c00604 2023
MCF-7—— 10.1021/acs.organomet.2c00604 2023
HeLa—— 10.1021/acs.organomet.2c00604 2023
MCF-10A—— 10.1021/acs.organomet.2c00604 2023

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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