home← all complexes Ir builderC^N familiesD-MPNN

Complex #2447 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2447
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5, "O": 1}
Abbreviation3
SMILESCc1c(C)c(C)c(C)c(C)c1C.O=C(Nc1cc2cccnc2c2ncccc12)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12.[Cl-]

TUCAN

C37H40N6O5RuS/(1-41)(2-41)(3-41)(4-42)(5-42)(6-42)(7-56)(8-47)(9-55)(10-54)(11-67)(12-66)(13-54)(14-76)(15-48)(16-74)(17-49)(18-74)(19-53)(20-57)(21-76)(22-56)(23-51)(24-55)(25-50)(26-57)(27-52)(28-43)(29-43)(30-43)(31-44)(32-44)(33-44)(34-45)(35-45)(36-45)(37-46)(38-46)(39-46)(40-78)(41-58)(42-59)(43-60)(44-61)(45-62)(46-63)(47-48)(47-64)(48-66)(49-50)(49-70)(50-77)(51-65)(51-73)(52-53)(52-65)(53-67)(54-56)(54-57)(55-57)(55-74)(56-76)(58-59)(58-60)(59-61)(60-62)(61-63)(62-63)(64-69)(64-73)(65-71)(66-82)(67-83)(68-70)(68-72)(68-79)(69-71)(69-82)(70-81)(71-83)(72-77)(72-80)(73-78)(74-87)(75-78)(75-84)(75-87)(76-89)(77-89)(79-88)(80-88)(81-85)(81-86)(82-90)(83-90)(87-90)(88-90)(89-90)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5491.4— 10.1021/acs.inorgchem.1c01482 2021
MCF-75.2— 10.1021/acs.inorgchem.1c01482 2021
LO225— 10.1021/acs.inorgchem.1c01482 2021

🧬 Cell Death Types (1)

Apoptosis high
«Complexes 1−3 produce high incidences of early to late apoptosis in A549 cells (80.5−93.6%) and complexes 1−3 probably induced cell apoptosis by mitochondrial apoptotic 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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