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Complex #2421 — Ru(2) [1a]

2D Structure

Structure
⬇ MOL V3000

Info

ID2421
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1}
Abbreviation1a
SMILESCc1ccc(C(C)C)cc1.Nc1cc2ccccc2oc1=O.[Cl-].[Cl-]

TUCAN

C19Cl2NO2Ru/(1-13)(2-15)(3-13)(4-14)(4-17)(5-7)(5-11)(6-8)(6-15)(7-14)(8-16)(9-10)(9-15)(10-16)(11-12)(12-18)(13-16)(14-18)(17-19)(17-20)(18-22)(19-21)(19-22)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
K-56283— 10.1016/j.poly.2017.02.011 2017
K-56290— 10.1016/j.poly.2017.02.011 2017
HeLa91— 10.1016/j.poly.2017.02.011 2017
HeLa94— 10.1016/j.poly.2017.02.011 2017
CFPAC1.1e+02— 10.1016/j.poly.2017.02.011 2017
CFPAC1.1e+02— 10.1016/j.poly.2017.02.011 2017

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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