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Complex #992 — Ru(2) [Ru-Hisp8]

2D Structure

Structure
⬇ MOL V3000

Info

ID992
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
AbbreviationRu-Hisp8
SMILESCOc1cc(/C=C/C([O-])=C/C(C)=O)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C25ClO5Ru/(1-14)(2-16)(3-22)(4-14)(5-9)(5-16)(6-17)(6-23)(7-11)(7-17)(8-22)(8-24)(9-15)(10-13)(10-15)(11-24)(12-17)(12-25)(13-16)(14-15)(18-28)(19-29)(20-30)(21-23)(21-25)(21-28)(22-27)(23-29)(24-26)(25-30)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
U-87 MG9.8 10.1016/j.ica.2022.121099 2022
HCT-11624 10.1016/j.ica.2022.121099 2022
A54934 10.1016/j.ica.2022.121099 2022

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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