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Complex #379 — Ru(2) [C4]

2D Structure

Structure
⬇ MOL V3000

Info

ID379
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
AbbreviationC4
SMILESCNC(=O)c1cccc(N)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]

TUCAN

C18Cl2N2ORu/(1-12)(2-12)(3-15)(4-6)(4-13)(5-11)(5-13)(6-15)(7-9)(7-17)(8-14)(8-17)(9-10)(10-14)(11-15)(12-13)(14-18)(16-20)(17-19)(18-20)(18-21)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-73.1e+02 10.1016/j.jinorgbio.2020.11115... 2020
HCC19373.2e+02 10.1016/j.jinorgbio.2020.11115... 2020
BEAS-2B3.6e+02 10.1016/j.jinorgbio.2020.11115... 2020
MDA-MB-2313.6e+02 10.1016/j.jinorgbio.2020.11115... 2020
MDA-MB-3614.4e+02 10.1016/j.jinorgbio.2020.11115... 2020
MDA-MB-4534.5e+02 10.1016/j.jinorgbio.2020.11115... 2020

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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