home← all complexes Ir builderC^N familiesD-MPNN

Complex #452 — Ru(2) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID452
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1, "O": 1}
Abbreviation6
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1c(I)cc(Cl)c2cccnc12

TUCAN

C25H30ClIN4OPRu/(1-40)(2-51)(3-51)(4-52)(5-52)(6-32)(7-31)(8-36)(9-32)(10-32)(11-31)(12-37)(13-31)(14-47)(15-47)(16-53)(17-48)(18-35)(19-33)(20-34)(21-33)(22-44)(23-33)(24-38)(25-39)(26-48)(27-49)(28-49)(29-53)(30-45)(31-41)(32-44)(33-44)(34-40)(34-45)(35-54)(35-55)(36-37)(36-42)(37-41)(38-39)(38-42)(39-41)(40-43)(42-44)(43-46)(43-54)(45-59)(46-50)(46-59)(47-56)(47-58)(48-56)(48-57)(49-57)(49-58)(50-55)(50-60)(51-56)(51-61)(52-57)(52-61)(53-58)(53-61)(54-62)(55-64)(59-63)(61-63)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
T98G6.9 10.1039/d2dt00666a 2022
LN2298.6 10.1039/d2dt00666a 2022
U-87 MG11 10.1039/d2dt00666a 2022
HIO8033 10.3389/fphar.2022.920379 2022
COV36238 10.3389/fphar.2022.920379 2022
OVCAR-498 10.3389/fphar.2022.920379 2022
COLO-205 10.3390/ph14060518 2021
COLO-320 10.3390/ph14060518 2021
MRC-5 10.3390/ph14060518 2021

🧬 Cell Death Types (1)

Apoptosis high
«Complex 5 was also reported to be cytotoxic against a series of human cancer cells and induced caspase-dependent cell death in leukemia cells [17].»

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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