home← all complexes Ir builderC^N familiesD-MPNN

Complex #5732 — Ir(3) [Ir2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5732
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 1}
AbbreviationIr2
SMILESCC1(C)COC(c2[c-]cccc2)=N1.[Cl-].c1cc[cH-]c1

TUCAN

C16ClIrNO/(1-14)(2-14)(3-4)(3-5)(4-11)(5-12)(6-7)(6-13)(7-10)(8-9)(8-10)(9-13)(11-12)(13-16)(14-15)(14-17)(15-18)(16-17)(16-18)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR2.1— 10.1021/acs.jmedchem.3c02000 2024
A27802.8— 10.1021/acs.jmedchem.3c02000 2024
HeLa3.7— 10.1021/acs.jmedchem.3c02000 2024
HEK2934.3— 10.1021/acs.jmedchem.3c02000 2024
HuH-74.9— 10.1021/acs.jmedchem.3c02000 2024

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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