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Complex #70 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID70
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 4}
Abbreviation1
SMILESCOc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C41H35N4O6Ru/(1-61)(2-36)(3-69)(4-37)(5-38)(6-69)(7-39)(8-69)(9-40)(10-62)(11-44)(12-42)(13-46)(14-43)(15-50)(16-54)(17-70)(18-70)(19-70)(20-56)(21-45)(22-48)(23-47)(24-53)(25-49)(26-58)(27-51)(28-63)(29-64)(30-55)(31-57)(32-41)(33-52)(34-83)(35-84)(36-37)(36-39)(37-65)(38-40)(38-66)(39-61)(40-42)(41-48)(41-67)(42-62)(43-46)(43-59)(44-60)(44-73)(45-51)(45-71)(46-72)(47-48)(47-63)(49-53)(49-64)(50-59)(50-75)(51-60)(52-53)(52-68)(54-72)(54-74)(55-56)(55-60)(56-74)(57-58)(57-59)(58-76)(61-77)(62-78)(63-79)(64-80)(65-66)(65-77)(66-78)(67-68)(67-79)(68-80)(69-85)(70-86)(71-73)(71-83)(72-82)(73-85)(74-81)(75-76)(75-86)(76-84)(77-87)(78-87)(79-87)(80-87)(86-87)

Measurements (12)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
DU-1450.29 10.1002/ejic.202100468 2021
HL600.380.34 10.1002/ejic.202100468 2021
MIA PaCa-20.77 10.1002/ejic.202100468 2021
MIA PaCa-21.4 10.1002/chem.202403695 2025
MIA PaCa-21.60.66 10.1002/chem.202403695 2025
MDA-MB-2311.91.4 10.1002/chem.202403695 2025
MDA-MB-2312.3 10.1002/chem.202403695 2025
PANC-12.3 10.1002/chem.202403695 2025
PANC-13.71.3 10.1002/chem.202403695 2025
A5493.8 10.1039/D0DT01040E 2020
MCF-75.2 10.1039/D0DT01040E 2020
SGC-79015.8 10.1039/D0DT01040E 2020

🧬 Cell Death Types (1)

Apoptosis high
«Complex 2 induces apoptosis via the intrinsic 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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