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Complex #801 — Ru(2) [7]

2D Structure

Structure
⬇ MOL V3000

Info

ID801
MetalRu
Oxidation state2
Charge2
Donor atoms{"O": 2, "N": 6}
Abbreviation7
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc([N+](=O)[O-])cc4)ccn3)c2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C46H34N8O4Ru/(1-67)(2-68)(3-46)(4-70)(5-45)(6-35)(7-47)(8-69)(9-41)(10-36)(11-58)(12-53)(13-42)(14-39)(15-37)(16-44)(17-43)(18-71)(19-56)(20-48)(21-59)(22-50)(23-49)(24-72)(25-38)(26-40)(27-57)(28-55)(29-62)(30-51)(31-54)(32-52)(33-60)(34-61)(35-36)(35-41)(36-67)(37-39)(37-56)(38-40)(38-60)(39-68)(40-69)(41-73)(42-46)(42-63)(43-47)(43-63)(44-45)(44-63)(45-64)(46-76)(47-76)(48-51)(48-80)(49-50)(49-65)(50-66)(51-65)(52-54)(52-65)(53-64)(53-70)(54-80)(55-57)(55-71)(56-74)(57-61)(58-64)(58-75)(59-66)(59-79)(60-77)(61-78)(62-66)(62-72)(67-83)(68-84)(69-85)(70-86)(71-87)(72-88)(73-74)(73-83)(74-84)(75-79)(75-86)(76-81)(77-78)(77-85)(78-87)(79-88)(80-82)(81-89)(81-90)(82-91)(82-92)(83-93)(84-93)(85-93)(86-93)(87-93)(88-93)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa4 10.1039/d1dt02083h 2021
RPE-115 10.1039/d1dt02083h 2021

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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