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Complex #534 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID534
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.Nc1ccccc1N.[Cl-]

TUCAN

C16ClN2Ru/(1-12)(2-13)(3-12)(4-5)(4-15)(5-10)(6-7)(6-13)(7-14)(8-9)(8-13)(9-14)(10-11)(11-16)(12-14)(15-16)(15-17)(16-18)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HOP-624.1 10.3390/molecules26010076 2020
OVCAR-34.3 10.3390/molecules26010076 2020
M-146 10.3390/molecules26010076 2020
Vero11 10.1016/j.bioorg.2020.103793 2020
A278011 10.1021/ic9013366 2009
A278011 10.1021/jm060596m 2006
3T3-L111 10.1016/j.bioorg.2020.103793 2020
HeLa16 10.1016/j.bioorg.2020.103793 2020
LNCaP20 10.1016/j.bioorg.2020.103793 2020
MDA-MB-23126 10.1016/j.bioorg.2020.103793 2020
DU-14534 10.1016/j.bioorg.2020.103793 2020
MCF-735 10.1016/j.bioorg.2020.103793 2020
PC-342 10.1016/j.bioorg.2020.103793 2020
HepG255 10.1016/j.bioorg.2020.103793 2020
Saos-256 10.1016/j.bioorg.2020.103793 2020
A549 10.1021/ic9013366 2009

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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