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Complex #4505 — Ru(2) [Ru8]

2D Structure

Structure
⬇ MOL V3000

Info

ID4505
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu8
SMILESc1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C42H28N8Ru/(1-42)(2-43)(3-56)(4-37)(5-39)(6-41)(7-47)(8-29)(9-57)(10-44)(11-48)(12-60)(13-38)(14-30)(15-31)(16-32)(17-33)(18-35)(19-46)(20-40)(21-49)(22-34)(23-58)(24-59)(25-45)(26-36)(27-71)(28-72)(29-37)(29-50)(30-32)(30-50)(31-46)(31-52)(32-54)(33-35)(33-64)(34-42)(34-51)(35-36)(36-49)(37-56)(38-39)(38-52)(39-57)(40-41)(40-54)(41-58)(42-43)(43-47)(44-45)(44-59)(45-55)(46-55)(47-69)(48-53)(48-60)(49-65)(50-61)(51-53)(51-69)(52-62)(53-67)(54-63)(55-68)(56-73)(57-74)(58-76)(59-78)(60-77)(61-63)(61-73)(62-68)(62-74)(63-76)(64-65)(64-72)(65-75)(66-67)(66-70)(66-77)(67-71)(68-78)(69-71)(70-72)(70-75)(73-79)(74-79)(75-79)(76-79)(77-79)(78-79)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2311.1— 10.1093/nsr/nwae234 2024
A5491.2— 10.1093/nsr/nwae234 2024
A549cisR1.4— 10.1093/nsr/nwae234 2024
PC-31.6— 10.1093/nsr/nwae234 2024
HeLa2.4— 10.1093/nsr/nwae234 2024
HLF5.5— 10.1093/nsr/nwae234 2024
U-87 MG8.6— 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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