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Complex #896 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID896
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 2, "N": 1}
Abbreviation9
SMILESCc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc([O-])c2ncccc12.[Cl-]

TUCAN

C19ClN2O3Ru/(1-13)(2-12)(3-12)(4-5)(4-14)(5-13)(6-7)(6-15)(7-16)(8-9)(8-14)(9-13)(10-11)(10-19)(11-18)(12-14)(15-17)(15-18)(16-20)(17-19)(17-20)(18-21)(19-22)(21-23)(21-24)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HIO8013 10.3389/fphar.2022.920379 2022
OVCAR-414 10.3389/fphar.2022.920379 2022
COV36222 10.3389/fphar.2022.920379 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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