home← all complexes Ir builderC^N familiesD-MPNN

Complex #1740 — Ru(2) [3b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1740
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 2}
Abbreviation3b
SMILESCCOC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C

TUCAN

C19O2Ru/(1-12)(2-13)(3-14)(4-16)(5-18)(6-17)(7-9)(7-10)(8-10)(8-11)(9-15)(11-15)(12-13)(12-14)(13-16)(14-17)(15-19)(16-17)(18-21)(19-20)(19-21)

Measurements (17)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MM96L2.7— 10.1002/asia.201100637 2012
CI80-13S3.8— 10.1002/asia.201100637 2012
T47D3.9— 10.1002/asia.201100637 2012
MCF-75.6— 10.1002/asia.201100637 2012
HT-297.4— 10.1002/asia.201100637 2012
DU-1457.8— 10.1002/asia.201100637 2012
MM418c58— 10.1002/asia.201100637 2012
MM96L11— 10.1016/j.jorganchem.2016.06.0... 2016
PC-312— 10.1002/asia.201100637 2012
B1618— 10.1002/asia.201100637 2012
MDA-MB-23120— 10.1002/asia.201100637 2012
A54924— 10.1002/asia.201100637 2012
MCF-729— 10.1016/j.jorganchem.2016.06.0... 2016
RAW 264.731— 10.1002/asia.201100637 2012
NFF48— 10.1002/asia.201100637 2012
MDA-MB-23149— 10.1016/j.jorganchem.2016.06.0... 2016
NFF79— 10.1016/j.jorganchem.2016.06.0... 2016

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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