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Complex #687 — Ru(2) [2bRu]

2D Structure

Structure
⬇ MOL V3000

Info

ID687
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation2bRu
SMILESCc1ccc(C(C)C)cc1.O=c1cc(Cn2cc(-c3ccccn3)nn2)c2ccc(O)cc2o1.[Cl-]

TUCAN

C27H26N4O3Ru/(1-27)(2-33)(3-28)(4-27)(5-27)(6-36)(7-31)(8-39)(9-48)(10-30)(11-47)(12-32)(13-38)(14-48)(15-46)(16-37)(17-28)(18-40)(19-28)(20-29)(21-45)(22-34)(23-35)(24-29)(25-29)(26-59)(27-43)(28-45)(29-45)(30-42)(30-53)(31-39)(31-50)(32-36)(32-41)(33-34)(33-43)(34-44)(35-40)(35-44)(36-52)(37-51)(37-52)(38-39)(38-47)(40-43)(41-42)(41-51)(42-48)(44-45)(46-49)(46-54)(47-56)(48-54)(49-50)(49-57)(50-56)(51-60)(52-59)(53-58)(53-60)(54-55)(55-57)(56-61)(57-61)(59-61)(60-61)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG2 10.1002/ardp.202400271 2024
MCF-7 10.1002/ardp.202400271 2024
PANC-1 10.1002/ardp.202400271 2024
RKO 10.1002/ardp.202400271 2024
HEK293 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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