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Complex #5726 — Ir(3) [5[CNH ,NH]]

2D Structure

Structure
⬇ MOL V3000

Info

ID5726
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 3}
Abbreviation5[CNH ,NH]
SMILESNc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].c1cc[cH-]c1

TUCAN

C18ClIrN3/(1-2)(1-7)(2-10)(3-6)(3-15)(4-5)(4-14)(5-12)(6-8)(7-11)(8-9)(9-16)(10-11)(12-13)(13-17)(14-17)(14-18)(15-16)(15-20)(16-21)(17-19)(18-20)(18-21)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278017— 10.3390/cancers15010107 2022
A2780cisR30— 10.3390/cancers15010107 2022
SW48034— 10.3390/cancers15010107 2022
A549—— 10.3390/cancers15010107 2022

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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