home← all complexes Ir builderC^N familiesD-MPNN

Complex #1375 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID1375
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2, "O": 2}
Abbreviation9
SMILESC/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1F.C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1F.[C-]#[O+].[C-]#[O+]

TUCAN

C34H26F2N2O4Ru/(1-33)(2-27)(3-31)(4-35)(5-43)(6-32)(7-48)(8-27)(9-34)(10-40)(11-27)(12-47)(13-30)(14-39)(15-29)(16-36)(17-28)(18-45)(19-42)(20-28)(21-28)(22-46)(23-41)(24-38)(25-44)(26-37)(27-52)(28-53)(29-43)(29-51)(30-31)(30-33)(31-39)(32-35)(32-43)(33-49)(34-39)(34-49)(35-59)(36-48)(36-54)(37-38)(37-48)(38-60)(40-45)(40-50)(41-46)(41-50)(42-52)(42-57)(44-53)(44-58)(45-47)(46-47)(49-57)(50-58)(51-59)(51-61)(52-61)(53-62)(54-60)(54-62)(55-63)(56-64)(57-65)(58-66)(59-67)(60-68)(61-69)(62-69)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
ARPE-1952— 10.1016/j.ica.2019.119025 2019
HCT-116 p53+/+54— 10.1016/j.ica.2019.119025 2019
MIA PaCa-2—— 10.1016/j.ica.2019.119025 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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