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Complex #8699 — Au(1)

2D Structure

Structure
⬇ MOL V3000

Info

ID8699
MetalAu
Oxidation state1
Charge0
Donor atoms{"N": 3, "O": 3, "S": 1}
Abbreviation
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=C1[N-]S(=O)(=O)c2ccccc21

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B42 CL160.42 10.1002/chem.201100321 2011
P21TZ0.82 10.1002/chem.201100321 2011
P21PZ0.92 10.1002/chem.201100321 2011
MDA-MB-2313 10.1002/chem.201100321 2011
LNCaP4.5 10.1002/chem.201100321 2011

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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