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Complex #2655 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2655
MetalRu
Oxidation state2
Charge-4
Donor atoms{"O": 3, "N": 3}
Abbreviation2
SMILESO=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc...

TUCAN

C72H42N6O18RuS6/(1-43)(2-44)(3-45)(4-52)(5-50)(6-46)(7-49)(8-57)(9-59)(10-51)(11-67)(12-54)(13-97)(14-47)(15-69)(16-53)(17-70)(18-61)(19-71)(20-98)(21-62)(22-58)(23-99)(24-48)(25-60)(26-65)(27-55)(28-72)(29-63)(30-64)(31-74)(32-76)(33-56)(34-73)(35-78)(36-100)(37-101)(38-75)(39-66)(40-77)(41-68)(42-102)(43-45)(43-109)(44-50)(44-109)(45-88)(46-57)(46-110)(47-79)(47-97)(48-80)(48-98)(49-59)(49-110)(50-88)(51-67)(51-111)(52-54)(52-81)(53-69)(53-111)(54-82)(55-84)(55-99)(56-85)(56-100)(57-90)(58-64)(58-83)(59-90)(60-63)(60-89)(61-70)(61-112)(62-71)(62-112)(63-93)(64-96)(65-72)(65-113)(66-86)(66-101)(67-91)(68-87)(68-102)(69-91)(70-92)(71-92)(72-94)(73-74)(73-113)(74-94)(75-76)(75-114)(76-95)(77-78)(77-114)(78-95)(79-81)(79-88)(80-82)(80-90)(81-103)(82-104)(83-84)(83-105)(84-91)(85-89)(85-92)(86-93)(86-94)(87-95)(87-96)(89-106)(93-107)(96-108)(97-115)(98-116)(99-117)(100-118)(101-119)(102-120)(103-104)(103-115)(104-116)(105-108)(105-117)(106-107)(106-118)(107-119)(108-120)(109-139)(110-140)(111-141)(112-142)(113-143)(114-144)(115-145)(116-145)(117-145)(118-145)(119-145)(120-145)(121-139)(122-139)(123-139)(124-140)(125-140)(126-140)(127-141)(128-141)(129-141)(130-142)(131-142)(132-142)(133-143)(134-143)(135-143)(136-144)(137-144)(138-144)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL60—9.8 10.1021/ic5013796 2014
A549—17 10.1021/ic5013796 2014
Jurkat—3.3 10.1021/ic5013796 2014

🧬 Cell Death Types (2)

Apoptosis high
«Compound 1 induced the proteolytic activation of both PARP and caspase 3 within 2 h of irradiation (Figure 4 A).»
Necroptosis medium
«Exposure of HL60 cells to 1 produced this fragment at significant levels both when protected from light and when irradiated, which is consistent with necrosis.»

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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