home← all complexes Ir builderC^N familiesD-MPNN

Complex #3622 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3622
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 3, "N": 1}
Abbreviation4
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].c1cscn1

TUCAN

C6H3NO3RuS/(1-8)(2-4)(3-9)(4-8)(4-10)(5-11)(6-12)(7-13)(8-14)(9-10)(9-14)(10-15)(14-15)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW4801.8e+02— 10.1016/j.poly.2014.05.067 2014
CH-12.2e+02— 10.1016/j.poly.2014.05.067 2014
A549—— 10.1016/j.poly.2014.05.067 2014

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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