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Complex #9158 — Au(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID9158
MetalAu
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 4}
Abbreviation
SMILESOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1

Measurements (20)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.001 10.1158/0008-5472.CAN-09-3324 2009
MDA-MB-2310.003 10.1158/0008-5472.CAN-09-3324 2009
MDA-MB-2310.004 10.1158/0008-5472.CAN-09-3324 2009
MDA-MB-2310.007 10.1158/0008-5472.CAN-09-3324 2009
SK-BR-30.02 10.1158/0008-5472.CAN-09-3324 2009
T47D0.02 10.1158/0008-5472.CAN-09-3324 2009
T47D0.04 10.1158/0008-5472.CAN-09-3324 2009
SK-BR-30.04 10.1158/0008-5472.CAN-09-3324 2009
MCF-70.05 10.1158/0008-5472.CAN-09-3324 2009
T47D0.05 10.1158/0008-5472.CAN-09-3324 2009
T47D0.06 10.1158/0008-5472.CAN-09-3324 2009
MCF-70.07 10.1158/0008-5472.CAN-09-3324 2009
SK-BR-30.07 10.1158/0008-5472.CAN-09-3324 2009
MCF-70.08 10.1158/0008-5472.CAN-09-3324 2009
SK-BR-30.08 10.1158/0008-5472.CAN-09-3324 2009
BT4740.12 10.1158/0008-5472.CAN-09-3324 2009
BT4740.15 10.1158/0008-5472.CAN-09-3324 2009
MCF-70.16 10.1158/0008-5472.CAN-09-3324 2009
BT4740.39 10.1158/0008-5472.CAN-09-3324 2009
BT4740.49 10.1158/0008-5472.CAN-09-3324 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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