home← all complexes Ir builderC^N familiesD-MPNN

Complex #8987 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID8987
MetalIr
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 7}
Abbreviation
SMILESO=C1Nc2ccccc2/C1=N\N=C\c1ncc[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.45 10.1021/acs.jmedchem.5c01150 2025
MIA PaCa-20.65 10.1021/acs.jmedchem.5c01150 2025
MCF-70.85 10.1021/acs.jmedchem.5c01150 2025
PANC-11.2 10.1021/acs.jmedchem.5c01150 2025
HFF-11.6 10.1021/acs.jmedchem.5c01150 2025

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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