home← all complexes Ir builderC^N familiesD-MPNN

Complex #9122 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID9122
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6, "O": 5}
Abbreviation
SMILESCc1ccnc(-c2cc(COC(=O)CCC(=O)n3cc(C4CC(=O)NC4=O)c4ccccc43)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa8.9 10.1016/j.jinorgbio.2025.11308... 2026
A54910 10.1016/j.jinorgbio.2025.11308... 2026
MDA-MB-23113 10.1016/j.jinorgbio.2025.11308... 2026
4T117 10.1016/j.jinorgbio.2025.11308... 2026
MCF-722 10.1016/j.jinorgbio.2025.11308... 2026
HepG235 10.1016/j.jinorgbio.2025.11308... 2026
BEAS-2B63 10.1016/j.jinorgbio.2025.11308... 2026

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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