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Complex #3086 — Ru(2) [RuL1-3mazpy]

2D Structure

Structure
⬇ MOL V3000

Info

ID3086
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
AbbreviationRuL1-3mazpy
SMILESCc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1cccnc1/N=N/c1ccccc1.[Cl-]

TUCAN

C37H38N6Ru/(1-68)(2-40)(3-52)(4-57)(5-48)(6-39)(7-40)(8-46)(9-39)(10-40)(11-41)(12-49)(13-41)(14-41)(15-67)(16-43)(17-43)(18-42)(19-50)(20-43)(21-53)(22-51)(23-42)(24-42)(25-45)(26-58)(27-55)(28-56)(29-47)(30-54)(31-39)(32-59)(33-44)(34-44)(35-44)(36-69)(37-45)(38-45)(39-60)(40-61)(41-62)(42-63)(43-65)(44-64)(45-66)(46-47)(46-48)(47-70)(48-55)(49-50)(49-73)(50-51)(51-74)(52-61)(52-63)(53-62)(53-63)(54-55)(54-70)(56-57)(56-67)(57-60)(58-64)(58-65)(59-64)(59-66)(60-75)(61-71)(62-71)(65-72)(66-72)(67-78)(68-73)(68-79)(69-74)(69-80)(70-77)(71-79)(72-80)(73-76)(74-76)(75-78)(75-81)(77-81)(78-82)(79-82)(80-82)(81-82)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
EVSA-T0.4 10.1039/c3nj00415e 2013
M190.4 10.1039/c3nj00415e 2013
MCF-70.8 10.1039/c3nj00415e 2013
WiDr1.4 10.1039/c3nj00415e 2013
NCI-H2261.8 10.1039/c3nj00415e 2013
IGROV-12 10.1039/c3nj00415e 2013
A4982.9 10.1039/c3nj00415e 2013

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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