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Complex #4074 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4074
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C56H44F8N8O8RuS2/(1-79)(2-48)(3-47)(4-61)(5-45)(6-97)(7-51)(8-50)(9-56)(10-54)(11-52)(12-45)(13-59)(14-80)(15-63)(16-62)(17-45)(18-97)(19-55)(20-46)(21-57)(22-65)(23-64)(24-49)(25-60)(26-66)(27-46)(28-46)(29-71)(30-68)(31-58)(32-98)(33-67)(34-53)(35-70)(36-69)(37-81)(38-82)(39-72)(40-98)(41-103)(42-104)(43-115)(44-116)(45-89)(46-90)(47-48)(47-79)(48-51)(49-74)(49-85)(50-56)(50-80)(51-83)(52-60)(52-99)(53-75)(53-88)(54-56)(54-84)(55-62)(55-86)(57-65)(57-87)(58-66)(58-99)(59-61)(59-73)(60-93)(61-85)(62-63)(63-81)(64-65)(64-82)(66-93)(67-68)(67-100)(68-94)(69-72)(69-100)(70-71)(70-76)(71-88)(72-94)(73-74)(73-77)(74-95)(75-76)(75-96)(76-78)(77-101)(78-102)(79-105)(80-106)(81-107)(82-108)(83-84)(83-105)(84-106)(85-103)(86-87)(86-107)(87-108)(88-104)(89-91)(89-97)(89-115)(90-92)(90-98)(90-116)(91-103)(91-109)(92-104)(92-110)(93-120)(94-124)(95-117)(95-118)(95-119)(96-121)(96-122)(96-123)(97-126)(98-125)(99-125)(100-126)(105-127)(106-127)(107-127)(108-127)(111-125)(112-125)(113-126)(114-126)(115-127)(116-127)(125-127)(126-127)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
PC-38249 10.1016/j.jinorgbio.2019.03.02... 2019
PC-38286 10.1016/j.jinorgbio.2019.03.02... 2019
LNCaP868.9 10.1016/j.jinorgbio.2019.03.02... 2019
LNCaP8675 10.1016/j.jinorgbio.2019.03.02... 2019

🧬 Cell Death Types (1)

Apoptosis high
«The potential of these complexes to induce apoptosis in LNCaP cells was performed under light and dark conditions by Hoechst 33342 DNA staining and flow cytometry assay. ... the apoptotic rates induce...»

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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