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Complex #909 — Ru(2) [3c]

2D Structure

Structure
⬇ MOL V3000

Info

ID909
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation3c
SMILESCCCOC[C@H]1O[C@@H](/N=C/C=N/[C@@H]2O[C@H](COCCC)[C@@H](OCCC)[C@H](OCCC)[C@H]2OCCC)[C@H](OCCC)[C@@H](OCCC)[C@@H]1OCCC.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C48H87N2O10Ru/(1-95)(2-106)(3-119)(4-88)(5-88)(6-88)(7-89)(8-129)(9-95)(10-89)(11-89)(12-90)(13-90)(14-119)(15-123)(16-95)(17-90)(18-103)(19-106)(20-99)(21-91)(22-97)(23-93)(24-123)(25-91)(26-97)(27-127)(28-107)(29-91)(30-92)(31-117)(32-107)(33-92)(34-97)(35-93)(36-125)(37-92)(38-103)(39-93)(40-131)(41-134)(42-126)(43-120)(44-120)(45-105)(46-102)(47-118)(48-118)(49-102)(50-105)(51-130)(52-94)(53-116)(54-116)(55-100)(56-114)(57-115)(58-100)(59-122)(60-122)(61-117)(62-101)(63-101)(64-94)(65-94)(66-124)(67-96)(68-96)(69-104)(70-104)(71-132)(72-121)(73-121)(74-96)(75-100)(76-128)(77-135)(78-125)(79-99)(80-99)(81-98)(82-108)(83-133)(84-124)(85-98)(86-108)(87-98)(88-109)(89-110)(90-111)(91-112)(92-113)(93-106)(94-101)(95-102)(96-104)(97-103)(98-107)(99-108)(100-105)(101-118)(102-117)(103-119)(104-121)(105-120)(106-123)(107-125)(108-124)(109-110)(109-111)(110-112)(111-113)(112-113)(114-115)(114-136)(115-137)(116-126)(116-138)(117-139)(118-138)(119-142)(120-144)(121-143)(122-128)(122-143)(123-145)(124-146)(125-147)(126-129)(126-140)(127-129)(127-131)(127-139)(128-130)(128-141)(129-142)(130-132)(130-144)(131-134)(131-145)(132-133)(132-146)(133-135)(133-147)(134-136)(134-140)(135-137)(135-141)(136-148)(137-148)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.68— 10.1002/aoc.5896 2020
HEK2931.9— 10.1002/aoc.5896 2020
MDA-MB-2314.3— 10.1002/aoc.5896 2020
SK-OV-35.3— 10.1002/aoc.5896 2020

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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