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Complex #1064 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1064
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5, "O": 1}
Abbreviation2
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2cccc([O-])c2n1

TUCAN

C38H32N5ORu/(1-42)(2-34)(3-34)(4-40)(5-45)(6-39)(7-47)(8-41)(9-49)(10-48)(11-43)(12-34)(13-35)(14-35)(15-54)(16-33)(17-51)(18-35)(19-44)(20-36)(21-36)(22-46)(23-36)(24-52)(25-53)(26-37)(27-33)(28-50)(29-33)(30-38)(31-37)(32-37)(33-60)(34-64)(35-65)(36-66)(37-67)(38-39)(38-50)(39-57)(40-43)(40-55)(41-42)(41-64)(42-55)(43-56)(44-46)(44-58)(45-51)(45-57)(46-59)(47-48)(47-56)(48-65)(49-52)(49-58)(50-70)(51-60)(52-66)(53-54)(53-67)(54-59)(55-61)(56-62)(57-63)(58-68)(59-69)(60-71)(61-62)(61-72)(62-73)(63-70)(63-71)(64-72)(65-73)(66-74)(67-75)(68-69)(68-74)(69-75)(70-76)(71-77)(72-77)(73-77)(74-77)(75-77)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL600.49 10.1016/j.ejmech.2018.04.044 2018

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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