home← all complexes Ir builderC^N familiesD-MPNN

Complex #2194 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID2194
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "P": 1}
Abbreviation5
SMILES[Cl-].c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C42H34N3PRu/(1-49)(2-37)(3-38)(4-35)(5-45)(6-55)(7-41)(8-43)(9-62)(10-68)(11-52)(12-40)(13-51)(14-69)(15-39)(16-48)(17-44)(18-47)(19-42)(20-50)(21-36)(22-61)(23-60)(24-53)(25-65)(26-56)(27-64)(28-63)(29-54)(30-59)(31-57)(32-58)(33-46)(34-77)(35-37)(35-43)(36-52)(36-68)(37-74)(38-39)(38-74)(39-43)(40-44)(40-75)(41-42)(41-45)(42-47)(44-48)(45-70)(46-54)(46-59)(47-55)(48-50)(49-62)(49-66)(50-51)(51-75)(52-66)(53-60)(53-76)(54-57)(55-70)(56-65)(56-76)(57-72)(58-59)(58-72)(60-64)(61-63)(61-69)(62-67)(63-67)(64-65)(66-71)(67-73)(68-78)(69-79)(70-77)(71-73)(71-78)(72-77)(73-79)(74-80)(75-80)(76-80)(78-81)(79-81)(80-81)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2313.3— 10.1016/j.jinorgbio.2019.01.00... 2019
V79—— 10.1016/j.jinorgbio.2019.01.00... 2019

🧬 Cell Death Types (1)

Apoptosis medium
«There were more round cells, when compared to the control cells, which is indicative of cell detachment, probably due to apoptotic cell death.»

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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