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Complex #553 — Ru(2) [Compound 7]

2D Structure

Structure
⬇ MOL V3000

Info

ID553
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
AbbreviationCompound 7
SMILESCCCCn1c(-c2[c-]cccc2)nc2cc(-c3ccc(C(=O)OC)cc3)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C35H37N2O2Ru/(1-67)(2-44)(3-38)(4-38)(5-39)(6-54)(7-48)(8-52)(9-50)(10-38)(11-41)(12-51)(13-39)(14-41)(15-46)(16-43)(17-41)(18-71)(19-53)(20-66)(21-40)(22-40)(23-59)(24-59)(25-67)(26-58)(27-58)(28-57)(29-71)(30-47)(31-39)(32-45)(33-55)(34-56)(35-49)(36-71)(37-40)(38-66)(39-61)(40-59)(41-66)(42-57)(42-64)(43-44)(43-61)(44-60)(45-46)(45-61)(46-60)(47-49)(47-68)(48-65)(48-69)(49-65)(50-52)(50-62)(51-53)(51-62)(52-63)(53-63)(54-55)(54-64)(55-56)(56-57)(58-59)(58-67)(60-66)(62-72)(63-65)(64-70)(67-73)(68-69)(68-73)(69-74)(70-73)(70-74)(71-76)(72-75)(72-76)(74-77)(76-77)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5498.2 10.1016/j.inoche.2023.110662 2023
HA22T9 10.1016/j.inoche.2023.110662 2023
MCF-79.7 10.1016/j.inoche.2023.110662 2023
HepG214 10.1016/j.inoche.2023.110662 2023

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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