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Complex #503 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID503
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 2}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C([O-])c1nc2ccccc2[nH]1.[Cl-]

TUCAN

C18ClN2O2Ru/(1-12)(2-13)(3-12)(4-6)(4-15)(5-11)(5-16)(6-11)(7-8)(7-13)(8-14)(9-10)(9-13)(10-14)(12-14)(15-16)(15-19)(16-20)(17-18)(17-19)(17-20)(18-21)(18-22)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa90 10.1016/j.jorganchem.2016.06.0... 2016
K-5621.4e+02 10.1016/j.jorganchem.2016.06.0... 2016
MCF-7 10.3390/molecules28010040 2022
HepG2 10.3390/molecules28010040 2022
MDA-MB-231 10.1016/j.jorganchem.2016.06.0... 2016
MRC-5 10.1016/j.jorganchem.2016.06.0... 2016

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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