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Complex #2809 — Ru(2) [Ru11]

2D Structure

Structure
⬇ MOL V3000

Info

ID2809
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationRu11
SMILESCc1ccc(/C=N\NC(=O)c2ccncc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C38H29N7ORu/(1-33)(2-34)(3-37)(4-31)(5-35)(6-56)(7-38)(8-57)(9-59)(10-32)(11-60)(12-47)(13-30)(14-46)(15-41)(16-30)(17-36)(18-39)(19-61)(20-40)(21-30)(22-62)(23-48)(24-44)(25-43)(26-42)(27-45)(28-58)(29-68)(30-50)(31-38)(31-56)(32-33)(32-50)(33-51)(34-44)(34-49)(35-39)(35-57)(36-42)(36-59)(37-40)(37-53)(38-49)(39-53)(40-54)(41-46)(41-50)(42-54)(43-45)(43-61)(44-55)(45-55)(46-51)(47-52)(47-62)(48-52)(48-60)(49-63)(51-58)(52-67)(53-64)(54-65)(55-66)(56-69)(57-70)(58-74)(59-71)(60-72)(61-73)(62-72)(63-66)(63-69)(64-65)(64-70)(65-71)(66-73)(67-68)(67-75)(68-74)(69-76)(70-76)(71-76)(72-76)(73-76)(74-76)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CEM0.16— 10.3109/14756360903357577 2010
Molt4/C80.29— 10.3109/14756360903357577 2010
L12100.75— 10.3109/14756360903357577 2010
CEM0.98— 10.1016/j.cclet.2015.03.011 2015
Molt4/C81.2— 10.1016/j.cclet.2015.03.011 2015
HL601.2— 10.1016/j.cclet.2015.03.011 2015
BEL-74021.6— 10.1016/j.cclet.2015.03.011 2015
L12101.8— 10.1016/j.cclet.2015.03.011 2015

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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