home← all complexes Ir builderC^N familiesD-MPNN

Complex #1550 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1550
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation3
SMILESCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.COC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.[Cl-].[Cl-]

TUCAN

C32H26N2O6Ru/(1-32)(2-29)(3-27)(4-28)(5-37)(6-51)(7-31)(8-51)(9-36)(10-33)(11-30)(12-51)(13-52)(14-34)(15-35)(16-42)(17-39)(18-43)(19-52)(20-40)(21-44)(22-38)(23-52)(24-41)(25-59)(26-60)(27-32)(27-47)(28-29)(28-45)(29-34)(30-33)(30-45)(31-32)(31-36)(33-34)(35-37)(35-40)(36-53)(37-43)(38-39)(38-41)(39-42)(40-56)(41-44)(42-46)(43-48)(44-46)(45-57)(46-58)(47-53)(47-54)(48-55)(48-56)(49-54)(49-57)(49-59)(50-55)(50-58)(50-60)(51-65)(52-66)(53-63)(54-61)(55-62)(56-64)(57-63)(57-65)(58-64)(58-66)(59-67)(60-67)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Toledo0.5— 10.1016/j.ica.2016.11.021 2016
L12100.7— 10.1039/c0dt00535e 2010
L1210R1.7— 10.1039/c0dt00535e 2010
A27802.5— 10.1016/j.ica.2016.11.021 2016
EJ2.7— 10.1039/c0dt00535e 2010
Toledo-cis2.9— 10.1016/j.ica.2016.11.021 2016
EJcisR3.5— 10.1039/c0dt00535e 2010
A2780cisR4.6— 10.1016/j.ica.2016.11.021 2016
A5495.3— 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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