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Complex #5954 — Ir(3) [Ir-1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5954
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 7, "O": 1}
AbbreviationIr-1
SMILESO=C(Nc1cc2cccnc2c2ncccc12)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C47H38IrN8O5S/(1-41)(2-48)(3-65)(4-63)(5-43)(6-50)(7-45)(8-47)(9-84)(10-64)(11-42)(12-71)(13-84)(14-53)(15-52)(16-46)(17-49)(18-44)(19-58)(20-61)(21-73)(22-54)(23-82)(24-65)(25-72)(26-57)(27-62)(28-63)(29-60)(30-59)(31-70)(32-55)(33-62)(34-51)(35-56)(36-82)(37-64)(38-86)(39-43)(39-66)(40-50)(40-67)(41-45)(41-46)(42-44)(42-52)(43-45)(44-71)(46-66)(47-48)(47-50)(48-49)(49-67)(51-53)(51-72)(52-74)(53-58)(54-55)(54-70)(55-68)(56-57)(56-85)(57-78)(58-81)(59-61)(59-73)(60-69)(60-80)(61-69)(62-65)(62-82)(63-64)(63-84)(64-65)(66-74)(67-81)(68-77)(68-80)(69-75)(70-93)(71-90)(72-91)(73-92)(74-90)(75-77)(75-92)(76-78)(76-79)(76-87)(77-93)(78-89)(79-85)(79-88)(80-86)(81-91)(82-97)(83-86)(83-94)(83-97)(84-99)(85-99)(87-98)(88-98)(89-95)(89-96)(90-100)(91-100)(92-100)(93-100)(97-100)(98-100)(99-100)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5498.7— 10.1016/j.jinorgbio.2022.11205... 2023
A549cisR10— 10.1016/j.jinorgbio.2022.11205... 2023
LO259— 10.1016/j.jinorgbio.2022.11205... 2023

🧬 Cell Death Types (1)

Apoptosis high
«The flow cytometry investigations demonstrated that Ir-1 and Ir-3 can arrest the cell cycle in S phase and induce the cell death through apoptosis process.»

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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