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Complex #3968 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3968
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESc1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C37H24N8Ru/(1-25)(2-29)(3-33)(4-47)(5-48)(6-30)(7-50)(8-36)(9-40)(10-38)(11-34)(12-37)(13-26)(14-27)(15-32)(16-61)(17-28)(18-35)(19-49)(20-51)(21-31)(22-39)(23-52)(24-63)(25-29)(25-47)(26-27)(26-41)(27-42)(28-31)(28-43)(29-41)(30-36)(30-42)(31-44)(32-33)(32-43)(33-48)(34-38)(34-49)(35-37)(35-44)(36-50)(37-51)(38-46)(39-40)(39-45)(40-52)(41-53)(42-56)(43-57)(44-60)(45-58)(45-59)(46-54)(46-55)(47-64)(48-65)(49-62)(50-66)(51-69)(52-67)(53-56)(53-64)(54-58)(54-63)(55-59)(55-62)(56-66)(57-60)(57-65)(58-68)(59-67)(60-69)(61-63)(61-68)(64-70)(65-70)(66-70)(67-70)(68-70)(69-70)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37520 10.1039/c3md20237b 2013
SW48020 10.1039/c3md20237b 2013
HepG228 10.1039/c3md20237b 2013
CaSki74 10.1039/c7ra00658f 2017
HeLa85 10.1039/c7ra00658f 2017
SiHa 10.1039/c7ra00658f 2017

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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