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Complex #869 — Ru(2) [NBD-Ru]

2D Structure

Structure
⬇ MOL V3000

Info

ID869
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 5, "O": 1}
AbbreviationNBD-Ru
SMILESO=C(NC1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1)c1cc2c(cn1)[nH]c1ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C42H33N11O4Ru/(1-37)(2-35)(3-44)(4-38)(5-56)(6-34)(7-36)(8-57)(9-39)(10-47)(11-40)(12-41)(13-59)(14-74)(15-52)(16-45)(17-62)(18-58)(19-46)(20-62)(21-61)(22-48)(23-50)(24-61)(25-53)(26-42)(27-60)(28-51)(29-43)(30-53)(31-49)(32-77)(33-78)(34-37)(34-56)(35-37)(35-63)(36-38)(36-64)(38-47)(39-41)(39-65)(40-50)(40-66)(41-48)(42-43)(42-46)(43-44)(44-68)(45-55)(45-67)(46-54)(47-57)(48-58)(49-52)(49-70)(50-51)(51-60)(52-72)(53-62)(53-74)(54-55)(54-68)(55-73)(56-81)(57-82)(58-83)(59-73)(59-76)(60-84)(61-74)(61-79)(62-79)(63-64)(63-81)(64-82)(65-66)(65-83)(66-84)(67-75)(67-76)(68-77)(69-71)(69-72)(69-85)(70-71)(70-80)(71-86)(72-79)(73-77)(74-78)(75-78)(75-87)(80-88)(80-89)(81-91)(82-91)(83-91)(84-91)(85-90)(85-91)(86-90)(86-91)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54954 10.1039/d3nr02707d 2023
LO279 10.1039/d3nr02707d 2023
S18080 10.1039/d3nr02707d 2023
LLC84 10.1039/d3nr02707d 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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