home← all complexes Ir builderC^N familiesD-MPNN

Complex #1551 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1551
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation4
SMILESCCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.CCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.[Cl-].[Cl-]

TUCAN

C34H30N2O6Ru/(1-40)(2-31)(3-47)(4-39)(5-49)(6-57)(7-31)(8-45)(9-44)(10-46)(11-34)(12-31)(13-50)(14-37)(15-33)(16-42)(17-38)(18-36)(19-57)(20-41)(21-32)(22-43)(23-35)(24-58)(25-58)(26-32)(27-32)(28-48)(29-65)(30-66)(31-57)(32-58)(33-40)(33-47)(34-39)(34-51)(35-39)(35-44)(36-47)(36-52)(37-44)(37-51)(38-45)(38-49)(40-60)(41-49)(41-54)(42-46)(42-53)(43-50)(43-53)(45-62)(46-48)(48-50)(51-63)(52-59)(52-60)(53-64)(54-61)(54-62)(55-59)(55-63)(55-65)(56-61)(56-64)(56-66)(57-70)(58-71)(59-67)(60-69)(61-68)(62-72)(63-69)(63-70)(64-71)(64-72)(65-73)(66-73)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
L12100.3 10.1039/c0dt00535e 2010
L1210R0.5 10.1039/c0dt00535e 2010
Toledo0.6 10.1016/j.ica.2016.11.021 2016
A2780cisR1.5 10.1016/j.ica.2016.11.021 2016
A27801.8 10.1016/j.ica.2016.11.021 2016
EJ2.2 10.1039/c0dt00535e 2010
EJcisR2.3 10.1039/c0dt00535e 2010
Toledo-cis2.8 10.1016/j.ica.2016.11.021 2016
A5493.8 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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