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Complex #2579 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2579
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESO=C1c2ccccc2-c2nc3c4cccnc4c4ncccc4c3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C41H26N8ORu/(1-51)(2-31)(3-46)(4-39)(5-45)(6-56)(7-52)(8-28)(9-34)(10-53)(11-29)(12-27)(13-55)(14-30)(15-37)(16-44)(17-41)(18-32)(19-35)(20-54)(21-33)(22-38)(23-36)(24-42)(25-40)(26-43)(27-31)(27-60)(28-31)(28-51)(29-42)(29-52)(30-35)(30-53)(32-35)(32-61)(33-38)(33-47)(34-46)(34-55)(36-42)(36-63)(37-44)(37-56)(38-39)(39-45)(40-43)(40-64)(41-43)(41-54)(44-49)(45-48)(46-50)(47-48)(47-57)(48-67)(49-59)(49-66)(50-62)(50-65)(51-70)(52-71)(53-72)(54-75)(55-68)(56-74)(57-58)(57-73)(58-67)(58-69)(59-62)(59-73)(60-61)(60-70)(61-72)(62-69)(63-64)(63-71)(64-75)(65-66)(65-68)(66-74)(67-76)(70-77)(71-77)(72-77)(73-77)(74-77)(75-77)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG217 10.1007/s11243-014-9901-2 2014
A54918 10.1007/s11243-014-9901-2 2014
BEL-740221 10.1007/s11243-014-9901-2 2014
MG-6324 10.1007/s11243-014-9901-2 2014
HeLa31 10.1007/s11243-014-9901-2 2014

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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