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Complex #128 — Ru(2) [12]

2D Structure

Structure
⬇ MOL V3000

Info

ID128
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
Abbreviation12
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C26ClO4Ru/(1-18)(2-19)(3-18)(4-12)(4-22)(5-8)(5-19)(6-13)(6-17)(7-11)(7-23)(8-16)(9-15)(9-16)(10-14)(10-22)(11-13)(12-20)(14-20)(15-19)(16-18)(17-23)(17-24)(20-26)(21-30)(22-30)(23-29)(24-25)(24-28)(25-26)(25-27)(26-29)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54912 10.1002/cmdc.202400313 2024
MRC-545 10.1002/cmdc.202400313 2024

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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