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Complex #202 — Ru(2) [Rhein-Ru(bpy)3]

2D Structure

Structure
⬇ MOL V3000

Info

ID202
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationRhein-Ru(bpy)3
SMILESCc1ccnc(-c2cc(CN=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C47H35N7O5Ru/(1-36)(2-52)(3-38)(4-65)(5-37)(6-48)(7-39)(8-41)(9-66)(10-68)(11-71)(12-43)(13-71)(14-50)(15-44)(16-40)(17-49)(18-55)(19-70)(20-67)(21-47)(22-46)(23-42)(24-45)(25-54)(26-53)(27-51)(28-36)(29-69)(30-57)(31-36)(32-56)(33-93)(34-92)(35-94)(36-58)(37-39)(37-65)(38-39)(38-72)(40-41)(40-44)(41-73)(42-43)(42-45)(43-74)(44-66)(45-68)(46-58)(46-70)(47-59)(47-67)(48-58)(48-77)(49-52)(49-60)(50-59)(50-76)(51-62)(51-78)(52-57)(53-54)(53-75)(54-56)(55-61)(55-62)(56-69)(57-81)(59-71)(60-63)(60-80)(61-64)(61-80)(62-82)(63-79)(63-81)(64-78)(64-79)(65-84)(66-85)(67-83)(68-86)(69-87)(70-88)(71-89)(72-75)(72-84)(73-74)(73-85)(74-86)(75-87)(76-77)(76-83)(77-88)(78-93)(79-90)(80-91)(81-92)(82-89)(82-94)(84-95)(85-95)(86-95)(87-95)(88-95)(89-95)(94-95)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
LO2358.7 10.1016/j.jinorgbio.2020.11113... 2020
A2780495.2 10.1016/j.jinorgbio.2020.11113... 2020
A549652.4 10.1016/j.jinorgbio.2020.11113... 2020
A2780cisR913.2 10.1016/j.jinorgbio.2020.11113... 2020
MCF-72.5e+028.1 10.1016/j.jinorgbio.2020.11113... 2020

🧬 Cell Death Types (1)

Autophagy high
«the confocal imaging and western blotting assay results suggested that Rhein-Ru(bpy)3 could induce cancer cell death through the autophagy pathway.»

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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