home← all complexes Ir builderC^N familiesD-MPNN

Complex #1809 — Ru(2) [7]

2D Structure

Structure
⬇ MOL V3000

Info

ID1809
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1}
Abbreviation7
SMILESCCC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C

TUCAN

C19ORu/(1-13)(2-14)(3-16)(4-17)(5-18)(6-12)(7-10)(7-15)(8-10)(8-11)(9-11)(9-15)(12-19)(13-14)(13-16)(14-17)(15-19)(16-18)(17-18)(19-20)

Measurements (13)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MM96L4.2— 10.1002/asia.201100637 2012
T47D4.2— 10.1002/asia.201100637 2012
MCF-74.3— 10.1002/asia.201100637 2012
PC-37.7— 10.1002/asia.201100637 2012
HT-298.2— 10.1002/asia.201100637 2012
DU-1458.4— 10.1002/asia.201100637 2012
MM418c512— 10.1002/asia.201100637 2012
CI80-13S13— 10.1002/asia.201100637 2012
B1614— 10.1002/asia.201100637 2012
MDA-MB-23125— 10.1002/asia.201100637 2012
RAW 264.727— 10.1002/asia.201100637 2012
A54932— 10.1002/asia.201100637 2012
NFF1e+02— 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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