home← all complexes Ir builderC^N familiesD-MPNN

Complex #5722 — Ir(3) [1[C,NH]]

2D Structure

Structure
⬇ MOL V3000

Info

ID5722
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 2}
Abbreviation1[C,NH]
SMILES[Cl-].[c-]1ccccc1-c1nc2ccccc2[nH]1.c1cc[cH-]c1

TUCAN

C18ClIrN2/(1-2)(1-7)(2-8)(3-9)(3-16)(4-5)(4-12)(5-15)(6-10)(6-17)(7-11)(8-11)(9-10)(12-13)(13-14)(14-15)(15-18)(16-17)(16-19)(17-20)(18-19)(18-20)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27805— 10.3390/cancers15010107 2022
A2780cisR5— 10.3390/cancers15010107 2022
SW4805— 10.3390/cancers15010107 2022
A54910— 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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