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Complex #5195 — Ir(3) [Ir2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5195
MetalIr
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 6}
AbbreviationIr2
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C43H29IrN7O2/(1-61)(2-35)(3-32)(4-42)(5-37)(6-45)(7-34)(8-40)(9-46)(10-62)(11-36)(12-48)(13-49)(14-54)(15-51)(16-43)(17-64)(18-55)(19-47)(20-53)(21-33)(22-52)(23-44)(24-41)(25-63)(26-39)(27-50)(28-38)(29-74)(30-48)(30-56)(31-53)(31-57)(32-34)(32-61)(33-37)(33-56)(34-46)(35-37)(35-48)(36-40)(36-47)(38-39)(38-45)(39-57)(40-62)(41-43)(41-64)(42-49)(42-67)(43-59)(44-51)(44-72)(45-53)(46-69)(47-70)(49-60)(50-55)(50-58)(51-60)(52-54)(52-60)(54-67)(55-63)(56-69)(57-70)(58-65)(58-66)(59-68)(59-71)(61-76)(62-78)(63-73)(64-79)(65-68)(65-73)(66-71)(66-74)(67-75)(68-79)(69-76)(70-78)(71-77)(72-74)(72-77)(75-80)(75-81)(76-82)(77-82)(78-82)(79-82)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
22Rv14.2e+0214 10.1021/acs.inorgchem.0c01509 2020
22Rv14.2e+0212 10.1021/acs.inorgchem.0c01509 2020
MCF-74.6e+029.7 10.1021/acs.inorgchem.0c01509 2020
MCF-74.6e+028.4 10.1021/acs.inorgchem.0c01509 2020
A5497e+028.8 10.1021/acs.inorgchem.0c01509 2020
A5497e+026.4 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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