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Complex #5197 — Ir(3) [Ir4]

2D Structure

Structure
⬇ MOL V3000

Info

ID5197
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 7}
AbbreviationIr4
SMILESCN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C45H35IrN7/(1-39)(2-69)(3-45)(4-43)(5-50)(6-42)(7-70)(8-44)(9-51)(10-59)(11-40)(12-53)(13-46)(14-67)(15-67)(16-67)(17-68)(18-60)(19-56)(20-48)(21-72)(22-61)(23-38)(24-57)(25-58)(26-68)(27-54)(28-49)(29-47)(30-71)(31-41)(32-55)(33-52)(34-68)(35-82)(36-42)(36-62)(37-57)(37-63)(38-40)(38-73)(39-43)(39-62)(40-44)(41-53)(41-63)(42-50)(43-50)(44-69)(45-46)(45-76)(46-66)(47-48)(47-72)(48-65)(49-56)(49-80)(51-58)(51-70)(52-58)(52-78)(53-59)(54-60)(54-66)(55-61)(55-64)(56-66)(57-59)(60-76)(61-71)(62-73)(63-78)(64-74)(64-75)(65-77)(65-79)(67-83)(68-83)(69-84)(70-86)(71-81)(72-87)(73-84)(74-79)(74-82)(75-77)(75-81)(76-83)(77-87)(78-86)(79-85)(80-82)(80-85)(84-88)(85-88)(86-88)(87-88)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-72.2e+029.2 10.1021/acs.inorgchem.0c01509 2020
MCF-72.2e+027.6 10.1021/acs.inorgchem.0c01509 2020
22Rv12.6e+029.7 10.1021/acs.inorgchem.0c01509 2020
22Rv12.6e+027.1 10.1021/acs.inorgchem.0c01509 2020
A5493.1e+025.9 10.1021/acs.inorgchem.0c01509 2020
A5493.1e+023.9 10.1021/acs.inorgchem.0c01509 2020

🧬 Cell Death Types (1)

Apoptosis medium
«Importantly, they could induce cell apoptosis upon TP irradiation with very high PIs in comparison to similar complexes.»

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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