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Complex #8749 — Au(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID8749
MetalAu
Oxidation state3
Charge1
Donor atoms{"O": 3, "N": 5}
Abbreviation
SMILESCOC(=O)C(CC[Se]C)NC(=O)c1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([n-]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[n-]4)C=C3)C=C2

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG21.4 10.1016/j.bmcl.2015.06.075 2015
MCF-75.2 10.1016/j.bmcl.2015.06.075 2015
HeLa7.3 10.1016/j.bmcl.2015.06.075 2015
LN2298.7 10.1016/j.bmcl.2015.06.075 2015
A54912 10.1016/j.bmcl.2015.06.075 2015
K-56214 10.1016/j.bmcl.2015.06.075 2015

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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