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Complex #1161 — Ru(3) [13]

2D Structure

Structure
⬇ MOL V3000

Info

ID1161
MetalRu
Oxidation state3
Charge1
Donor atoms{"N": 6, "O": 2}
Abbreviation13
SMILESCCCCCCNC(C)=N.CCCCCCNC(C)=N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]

TUCAN

C36H56N6O2Ru/(1-87)(2-69)(3-74)(4-83)(5-85)(6-59)(7-57)(8-57)(9-85)(10-70)(11-59)(12-57)(13-58)(14-84)(15-69)(16-74)(17-88)(18-86)(19-70)(20-59)(21-60)(22-80)(23-71)(24-60)(25-60)(26-61)(27-78)(28-62)(29-65)(30-66)(31-79)(32-79)(33-67)(34-68)(35-64)(36-78)(37-63)(38-80)(39-73)(40-76)(41-71)(42-72)(43-73)(44-76)(45-77)(46-58)(47-86)(48-75)(49-75)(50-58)(51-77)(52-72)(53-93)(54-95)(55-96)(56-94)(57-76)(58-77)(59-89)(60-90)(61-62)(61-91)(62-66)(63-64)(63-68)(64-92)(65-66)(65-81)(67-68)(67-82)(69-74)(69-87)(70-71)(70-85)(71-73)(72-75)(72-80)(73-76)(74-78)(75-77)(78-79)(79-88)(80-86)(81-83)(81-91)(82-84)(82-92)(83-97)(84-98)(85-93)(86-94)(87-88)(87-97)(88-98)(89-93)(89-95)(90-94)(90-96)(91-99)(92-100)(95-101)(96-101)(97-101)(98-101)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa0.1 10.1039/c7sc02205k 2017
A2780cisR0.2 10.1039/c7sc02205k 2017
A5490.3 10.1039/c7sc02205k 2017
A27800.3 10.1039/c7sc02205k 2017
MCF-70.5 10.1039/c7sc02205k 2017
HepG20.6 10.1039/c7sc02205k 2017
MRC-51.8 10.1039/c7sc02205k 2017

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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