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Complex #686 — Ru(2) [2aRu]

2D Structure

Structure
⬇ MOL V3000

Info

ID686
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation2aRu
SMILESCc1ccc(C(C)C)cc1.O=c1cc(-n2cc(-c3ccccn3)nn2)c2ccccc2o1.[Cl-]

TUCAN

C26H24N4O2Ru/(1-33)(2-43)(3-26)(4-34)(5-25)(6-30)(7-28)(8-38)(9-45)(10-31)(11-29)(12-37)(13-44)(14-32)(15-36)(16-26)(17-35)(18-26)(19-25)(20-27)(21-39)(22-27)(23-25)(24-27)(25-41)(26-43)(27-43)(28-32)(28-38)(29-37)(29-40)(30-36)(30-37)(31-48)(31-50)(32-46)(33-34)(33-41)(34-42)(35-39)(35-42)(36-49)(38-44)(39-41)(40-48)(40-49)(42-43)(44-53)(45-47)(45-51)(46-47)(46-53)(47-54)(48-51)(49-56)(50-55)(50-56)(51-52)(52-54)(53-57)(54-57)(56-57)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK2931.5 10.1002/ardp.202400271 2024
HepG283 10.1002/ardp.202400271 2024
PANC-190 10.1002/ardp.202400271 2024
MCF-7 10.1002/ardp.202400271 2024
RKO 10.1002/ardp.202400271 2024

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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