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Complex #3150 — Ru(2) [Ru-1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3150
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu-1
SMILESO=C(O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H28N8O3Ru/(1-32)(2-52)(3-29)(4-37)(5-33)(6-30)(7-53)(8-42)(9-44)(10-55)(11-54)(12-35)(13-57)(14-56)(15-43)(16-31)(17-38)(18-40)(19-39)(20-47)(21-36)(22-34)(23-45)(24-46)(25-41)(26-70)(27-79)(28-78)(29-30)(29-32)(30-58)(31-38)(31-60)(32-52)(33-39)(33-53)(34-44)(34-67)(35-37)(35-51)(36-48)(36-49)(37-55)(38-46)(39-40)(40-61)(41-45)(41-62)(42-45)(42-54)(43-47)(43-56)(44-48)(46-57)(47-50)(48-66)(49-67)(49-68)(50-59)(50-64)(51-63)(51-65)(52-71)(53-72)(54-73)(55-69)(56-76)(57-74)(58-60)(58-71)(59-65)(59-75)(60-74)(61-62)(61-72)(62-73)(63-64)(63-69)(64-76)(65-70)(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
HepG29.2 10.1039/c9tb02103e 2019
MCF-726 10.1039/c9tb02103e 2019
A54941 10.1039/c9tb02103e 2019
MDA-MB-23125 10.1039/c9tb02103e 2019
GES-183 10.1039/c9tb02103e 2019
HUVEC95 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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