home← all complexes Ir builderC^N familiesD-MPNN

Complex #2199 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2199
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1}
Abbreviation2
SMILESC1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].c1ccc(-c2ccccn2)nc1

TUCAN

C28H44N11P3Ru/(1-64)(2-45)(3-64)(4-48)(5-65)(6-46)(7-51)(8-65)(9-66)(10-66)(11-67)(12-67)(13-68)(14-68)(15-69)(16-55)(17-55)(18-56)(19-52)(20-69)(21-70)(22-70)(23-71)(24-56)(25-57)(26-57)(27-58)(28-58)(29-59)(30-59)(31-60)(32-60)(33-61)(34-61)(35-71)(36-50)(37-72)(38-72)(39-62)(40-62)(41-63)(42-63)(43-47)(44-49)(45-46)(45-53)(46-48)(47-49)(47-54)(48-51)(49-50)(50-52)(51-82)(52-83)(53-54)(53-82)(54-83)(55-73)(55-74)(56-73)(56-75)(57-74)(57-75)(58-76)(58-78)(59-76)(59-77)(60-77)(60-78)(61-79)(61-81)(62-79)(62-80)(63-80)(63-81)(64-73)(64-84)(65-75)(65-84)(66-74)(66-84)(67-76)(67-85)(68-77)(68-85)(69-78)(69-85)(70-79)(70-86)(71-80)(71-86)(72-81)(72-86)(82-87)(83-87)(84-87)(85-87)(86-87)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RPMI-82261.4e+02— 10.1039/c7dt02051a 2017
U2661.9e+02— 10.1039/c7dt02051a 2017

🧬 Cell Death Types (1)

Necroptosis medium
«The results show that an increase in PI+/Ann-V− (necrotic cells) was observed in compound 4-treated cells, while low or no effect was evidenced with the other Ru complexes in both cell lines (Fig. 2S ...»

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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