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Complex #3151 — Ru(2) [Ru-2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3151
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu-2
SMILESO=C(O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H28N8O3Ru/(1-31)(2-52)(3-47)(4-40)(5-46)(6-29)(7-56)(8-35)(9-30)(10-53)(11-42)(12-55)(13-54)(14-57)(15-41)(16-39)(17-34)(18-37)(19-36)(20-38)(21-32)(22-33)(23-44)(24-45)(25-43)(26-70)(27-79)(28-78)(29-30)(29-31)(30-58)(31-52)(32-33)(32-48)(33-40)(34-37)(34-59)(35-38)(35-53)(36-38)(36-60)(37-45)(39-41)(39-51)(40-49)(41-55)(42-44)(42-54)(43-44)(43-63)(45-57)(46-47)(46-56)(47-50)(48-66)(48-67)(49-67)(49-68)(50-61)(50-62)(51-64)(51-65)(52-71)(53-72)(54-73)(55-76)(56-69)(57-74)(58-59)(58-71)(59-74)(60-63)(60-72)(61-64)(61-69)(62-65)(62-70)(63-73)(64-76)(65-75)(66-70)(66-75)(67-78)(68-77)(68-79)(71-80)(72-80)(73-80)(74-80)(75-80)(76-80)(78-80)(79-80)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG2—7.9 10.1039/c9tb02103e 2019
MCF-7—30 10.1039/c9tb02103e 2019
A549—35 10.1039/c9tb02103e 2019
MDA-MB-231—20 10.1039/c9tb02103e 2019
GES-1—61 10.1039/c9tb02103e 2019
HUVEC—80 10.1039/c9tb02103e 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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