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Complex #45 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID45
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
Abbreviation1
SMILESCC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.[Cl-].c1ccccc1

TUCAN

C40H44N10Ru/(1-82)(2-45)(3-45)(4-45)(5-58)(6-46)(7-53)(8-55)(9-54)(10-56)(11-46)(12-81)(13-46)(14-47)(15-47)(16-47)(17-48)(18-48)(19-48)(20-83)(21-79)(22-49)(23-49)(24-49)(25-50)(26-60)(27-50)(28-61)(29-62)(30-50)(31-79)(32-59)(33-63)(34-51)(35-51)(36-57)(37-84)(38-80)(39-80)(40-64)(41-51)(42-52)(43-52)(44-52)(45-71)(46-71)(47-72)(48-72)(49-73)(50-73)(51-74)(52-74)(53-54)(53-56)(54-60)(55-66)(55-67)(56-61)(57-69)(57-70)(58-65)(58-66)(59-65)(59-67)(60-62)(61-62)(63-68)(63-69)(64-68)(64-70)(65-79)(66-71)(67-72)(68-80)(69-73)(70-74)(71-75)(72-76)(73-77)(74-78)(75-85)(76-86)(77-87)(78-88)(79-89)(80-90)(81-89)(81-91)(82-91)(82-93)(83-90)(83-92)(84-92)(84-94)(89-93)(90-94)(91-95)(92-95)(93-95)(94-95)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
T47D54 10.1021/acs.organomet.8b00897 2019
MCF-71.4e+02 10.1021/acs.organomet.8b00897 2019
MCF-7 10.1021/acs.organomet.8b00897 2019
T47D 10.1021/acs.organomet.8b00897 2019

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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