home← all complexes Ir builderC^N familiesD-MPNN

Complex #1806 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1806
MetalRu
Oxidation state2
Charge1
Donor atoms—
Abbreviation3
SMILESCCc1ccccc1.Cc1c(C)c(C)[c-](C)c1C

TUCAN

C18Ru/(1-13)(2-14)(3-15)(4-16)(5-18)(6-11)(7-9)(7-17)(8-9)(8-10)(10-12)(11-17)(12-17)(13-14)(13-15)(14-16)(15-18)(16-18)

Measurements (13)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MM96L1.7— 10.1002/asia.201100637 2012
T47D1.8— 10.1002/asia.201100637 2012
MCF-72.9— 10.1002/asia.201100637 2012
CI80-13S3.2— 10.1002/asia.201100637 2012
MM418c54.5— 10.1002/asia.201100637 2012
MDA-MB-2315.7— 10.1002/asia.201100637 2012
PC-35.8— 10.1002/asia.201100637 2012
DU-1456.7— 10.1002/asia.201100637 2012
HT-296.9— 10.1002/asia.201100637 2012
A5498.1— 10.1002/asia.201100637 2012
B168.2— 10.1002/asia.201100637 2012
RAW 264.712— 10.1002/asia.201100637 2012
NFF31— 10.1002/asia.201100637 2012

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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