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Complex #640 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID640
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationRu2
SMILESc1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C40H27N7Ru/(1-55)(2-28)(3-31)(4-54)(5-42)(6-57)(7-58)(8-40)(9-45)(10-59)(11-29)(12-36)(13-33)(14-47)(15-35)(16-43)(17-44)(18-37)(19-41)(20-46)(21-30)(22-32)(23-38)(24-39)(25-56)(26-34)(27-68)(28-31)(28-48)(29-42)(29-49)(30-32)(30-48)(31-54)(32-49)(33-47)(33-60)(34-35)(34-67)(35-36)(36-55)(37-43)(37-50)(38-39)(38-50)(39-52)(40-45)(40-51)(41-44)(41-52)(42-57)(43-58)(44-59)(45-47)(46-53)(46-56)(48-61)(49-62)(50-63)(51-53)(51-60)(52-65)(53-64)(54-70)(55-69)(56-73)(57-71)(58-72)(59-74)(60-68)(61-62)(61-70)(62-71)(63-65)(63-72)(64-66)(64-68)(65-74)(66-67)(66-73)(67-69)(69-75)(70-75)(71-75)(72-75)(73-75)(74-75)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa20 10.1021/jm1009296 2010
HepG250 10.1021/jm1009296 2010
MCF-757 10.1021/jm1009296 2010
MCF-10A1.3e+02 10.1021/jm1009296 2010
MDA-MB-2311 10.1016/j.ejmech.2024.116638 2024
4T134 10.1016/j.ejmech.2024.116638 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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