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Complex #9262 — Au(1)

2D Structure

Structure
⬇ MOL V3000

Info

ID9262
MetalAu
Oxidation state1
Charge0
Donor atoms{"O": 9, "S": 1, "N": 3, "Cl": 1}
Abbreviation
SMILESCC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
PC-330 10.29356/jmcs.v57i3.210 2017
MCF-730 10.29356/jmcs.v57i3.210 2017
SK-BR-330 10.29356/jmcs.v57i3.210 2017
HT-2930 10.29356/jmcs.v57i3.210 2017
LoVo30 10.29356/jmcs.v57i3.210 2017
B16/BL630 10.29356/jmcs.v57i3.210 2017

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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