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Complex #2207 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2207
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "O": 1}
Abbreviation4
SMILESCC#N.Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(-[n+]2[c-]n3ccccc3c2)cc1.[Cl-]

TUCAN

C25ClN4O2Ru/(1-19)(2-18)(3-17)(4-18)(5-9)(5-22)(6-10)(6-21)(7-8)(7-17)(8-16)(9-24)(10-11)(11-23)(12-15)(12-24)(13-14)(13-16)(14-17)(15-22)(16-18)(19-26)(20-23)(20-28)(21-27)(22-29)(23-27)(24-28)(25-27)(25-28)(29-30)(29-31)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-1161— 10.1002/aoc.4692 2018
A54915— 10.1002/aoc.4692 2018
MCF-730— 10.1002/aoc.4692 2018
MCF-10A—— 10.1002/aoc.4692 2018

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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