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Complex #2673 — Ru(2) [8b]

2D Structure

Structure
⬇ MOL V3000

Info

ID2673
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation8b
SMILESc1ccc(CN2CCN(Cc3cc4cccnc4c4ncccc34)CC2)cc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1

TUCAN

C60H48N8Ru/(1-94)(2-60)(3-49)(4-50)(5-53)(6-57)(7-51)(8-68)(9-52)(10-55)(11-56)(12-69)(13-94)(14-96)(15-93)(16-92)(17-91)(18-93)(19-98)(20-62)(21-96)(22-95)(23-98)(24-61)(25-73)(26-82)(27-80)(28-75)(29-78)(30-72)(31-74)(32-54)(33-65)(34-71)(35-58)(36-59)(37-95)(38-63)(39-97)(40-66)(41-70)(42-76)(43-79)(44-64)(45-67)(46-77)(47-81)(48-97)(49-55)(49-83)(50-58)(50-84)(51-53)(51-56)(52-56)(52-104)(53-83)(54-69)(54-105)(55-99)(57-68)(57-84)(58-100)(59-63)(59-79)(60-63)(60-90)(61-73)(61-86)(62-85)(62-87)(64-72)(64-106)(65-66)(65-88)(66-102)(67-77)(67-107)(68-69)(70-71)(70-103)(71-89)(72-74)(73-92)(74-75)(75-88)(76-77)(76-78)(78-89)(79-81)(80-82)(80-85)(81-90)(82-91)(83-104)(84-105)(85-101)(86-87)(86-108)(87-96)(88-106)(89-107)(90-97)(91-112)(92-116)(93-94)(93-110)(94-109)(95-98)(95-109)(96-110)(97-109)(98-110)(99-102)(99-111)(100-103)(100-113)(101-108)(101-112)(102-114)(103-115)(104-111)(105-113)(106-114)(107-115)(108-116)(111-117)(112-117)(113-117)(114-117)(115-117)(116-117)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549151.7 10.1021/acs.molpharmaceut.4c01... 2025
4T1161.9 10.1021/acs.molpharmaceut.4c01... 2025

🧬 Cell Death Types (1)

Immunogenic Cell Death high
«Furthermore, 8b also initiated an ICD cascade, enhancing recruitment and maturation of antigen-presenting cells, thus triggering a CD8+ T cell antitumor immune response.»

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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