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Complex #1404 — Ru(2) [5c]

2D Structure

Structure
⬇ MOL V3000

Info

ID1404
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 1}
Abbreviation5c
SMILESCc1ccc(C(C)C)cc1.[I-].[O-]c1c(I)cc(Cl)c2cccnc12

TUCAN

C19ClI2NORu/(1-12)(2-11)(3-11)(4-5)(4-12)(5-13)(6-9)(6-12)(7-10)(7-14)(8-18)(8-19)(9-13)(10-15)(11-13)(14-16)(14-18)(15-20)(16-17)(16-20)(17-19)(17-21)(18-22)(19-25)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H4605.6— 10.1021/acs.organomet.5b00868 2015
SK-OV-36.1— 10.1039/c9dt00866g 2019
HCT-1166.8— 10.1021/acs.organomet.5b00868 2015
SiHa7.6— 10.1021/acs.organomet.5b00868 2015
HeLa8.3— 10.1039/c9dt00866g 2019
MG-639— 10.1016/j.jinorgbio.2018.05.00... 2018
A54919— 10.1016/j.jinorgbio.2018.05.00... 2018
HL-770249— 10.1039/c9dt00866g 2019
T24—— 10.1039/c9dt00866g 2019

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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