home← all complexes Ir builderC^N familiesD-MPNN

Complex #742 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID742
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6, "O": 1}
Abbreviation2
SMILESCc1cccc(N=Cc2ccccc2[O-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C33H27N6ORu/(1-30)(2-49)(3-29)(4-50)(5-33)(6-51)(7-53)(8-38)(9-45)(10-46)(11-35)(12-41)(13-31)(14-32)(15-34)(16-36)(17-28)(18-37)(19-47)(20-40)(21-42)(22-43)(23-44)(24-28)(25-28)(26-52)(27-39)(28-54)(29-30)(29-49)(30-32)(31-40)(31-41)(32-55)(33-34)(33-50)(34-42)(35-43)(35-51)(36-38)(36-54)(37-39)(37-47)(38-46)(39-48)(40-56)(41-53)(42-57)(43-44)(44-58)(45-47)(45-60)(46-59)(48-52)(48-60)(49-62)(50-63)(51-65)(52-64)(53-66)(54-61)(55-56)(55-62)(56-66)(57-58)(57-63)(58-65)(59-61)(59-64)(60-67)(61-68)(62-68)(63-68)(64-68)(65-68)(66-68)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
EVSA-T2.5 10.1021/acs.inorgchem.1c03399 2022
M195.6 10.1021/acs.inorgchem.1c03399 2022
MCF-75.7 10.1021/acs.inorgchem.1c03399 2022
WiDr8 10.1021/acs.inorgchem.1c03399 2022
IGROV-18.7 10.1021/acs.inorgchem.1c03399 2022
NCI-H22620 10.1021/acs.inorgchem.1c03399 2022
A49849 10.1021/acs.inorgchem.1c03399 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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