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Complex #4507 — Ru(2) [Ru5]

2D Structure

Structure
⬇ MOL V3000

Info

ID4507
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu5
SMILESc1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C38H26N8Ru/(1-32)(2-50)(3-29)(4-35)(5-37)(6-51)(7-52)(8-53)(9-40)(10-42)(11-55)(12-56)(13-38)(14-27)(15-28)(16-33)(17-36)(18-43)(19-34)(20-39)(21-54)(22-41)(23-30)(24-31)(25-65)(26-66)(27-34)(27-44)(28-33)(28-45)(29-35)(29-44)(30-31)(30-43)(31-36)(32-46)(32-50)(33-47)(34-48)(35-51)(36-62)(37-38)(37-52)(38-45)(39-40)(39-47)(40-53)(41-42)(41-48)(42-54)(43-49)(44-57)(45-58)(46-49)(46-63)(47-59)(48-60)(49-62)(50-72)(51-67)(52-69)(53-70)(54-71)(55-56)(55-65)(56-68)(57-60)(57-67)(58-59)(58-69)(59-70)(60-71)(61-63)(61-64)(61-72)(62-66)(63-66)(64-65)(64-68)(67-73)(68-73)(69-73)(70-73)(71-73)(72-73)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5492.1 10.1093/nsr/nwae234 2024
PC-32.7 10.1093/nsr/nwae234 2024
HeLa3.1 10.1093/nsr/nwae234 2024
A549cisR3.3 10.1093/nsr/nwae234 2024
MDA-MB-2317.7 10.1093/nsr/nwae234 2024
U-87 MG15 10.1093/nsr/nwae234 2024
HLF34 10.1093/nsr/nwae234 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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