home← all complexes Ir builderC^N familiesD-MPNN

Complex #1549 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1549
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation2
SMILESO=C1/C(=N/O)C(c2ccccc2)Oc2ccccc21.O=Nc1c(-c2ccccc2)oc2ccccc2c1=O.[Cl-].[Cl-]

TUCAN

C30H20N2O6Ru/(1-23)(2-24)(3-21)(4-33)(5-25)(6-26)(7-27)(8-22)(9-28)(10-35)(11-34)(12-31)(13-29)(14-50)(15-36)(16-30)(17-37)(18-38)(19-32)(20-58)(21-34)(21-42)(22-30)(22-34)(23-31)(23-39)(24-31)(24-32)(25-27)(25-37)(26-36)(26-41)(27-49)(28-37)(28-40)(29-36)(29-38)(30-45)(32-33)(33-39)(35-38)(35-41)(39-47)(40-48)(40-49)(41-50)(42-45)(42-46)(43-46)(43-47)(43-51)(44-48)(44-50)(44-52)(45-55)(46-53)(47-55)(48-54)(49-56)(50-56)(51-57)(51-59)(52-58)(52-59)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Toledo14— 10.1016/j.ica.2016.11.021 2016
A278040— 10.1016/j.ica.2016.11.021 2016
Toledo-cis57— 10.1016/j.ica.2016.11.021 2016
A2780cisR62— 10.1016/j.ica.2016.11.021 2016
A5491e+02— 10.1016/j.ica.2016.11.021 2016

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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