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Complex #3692 — Ru(2) [8]

2D Structure

Structure
⬇ MOL V3000

Info

ID3692
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3}
Abbreviation8
SMILESCCCCCC/C([N-]c1cccc2ccccc12)=C1/C(=O)N(c2ccccc2)N=C1C.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C37H42N3ORu/(1-66)(2-43)(3-43)(4-43)(5-51)(6-47)(7-45)(8-52)(9-56)(10-55)(11-45)(12-50)(13-44)(14-58)(15-44)(16-74)(17-54)(18-57)(19-53)(20-48)(21-44)(22-60)(23-46)(24-46)(25-65)(26-46)(27-64)(28-65)(29-68)(30-64)(31-67)(32-68)(33-66)(34-59)(35-47)(36-45)(37-49)(38-61)(39-62)(40-47)(41-63)(42-67)(43-74)(44-74)(45-70)(46-65)(47-75)(48-50)(48-69)(49-58)(49-69)(50-70)(51-52)(51-63)(52-76)(53-55)(53-71)(54-59)(54-76)(55-56)(56-57)(57-73)(58-70)(59-63)(60-61)(60-73)(61-62)(62-77)(64-65)(64-68)(66-67)(66-78)(67-68)(69-74)(71-73)(71-77)(72-75)(72-78)(72-79)(75-82)(76-80)(77-81)(78-81)(79-80)(79-83)(80-82)(81-84)(82-84)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR30— 10.1021/ic502274b 2014
A278031— 10.1021/ic502274b 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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