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Complex #4263 — Ru(2) [RuL4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4263
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5, "S": 1}
AbbreviationRuL4
SMILESCN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C69H57N8O2RuS2/(1-109)(2-58)(3-60)(4-64)(5-71)(6-61)(7-59)(8-62)(9-73)(10-63)(11-66)(12-65)(13-110)(14-70)(15-111)(16-81)(17-80)(18-117)(19-117)(20-113)(21-113)(22-114)(23-114)(24-105)(25-79)(26-78)(27-115)(28-106)(29-115)(30-116)(31-107)(32-107)(33-107)(34-112)(35-67)(36-83)(37-68)(38-69)(39-72)(40-75)(41-84)(42-76)(43-108)(44-116)(45-108)(46-118)(47-86)(48-85)(49-74)(50-88)(51-87)(52-89)(53-82)(54-90)(55-108)(56-118)(57-77)(58-59)(58-91)(59-95)(60-61)(60-65)(61-93)(62-63)(62-93)(63-65)(64-94)(64-109)(66-67)(66-96)(67-68)(68-69)(69-70)(70-96)(71-97)(71-110)(72-76)(72-85)(73-99)(73-111)(74-82)(74-103)(75-100)(75-112)(76-83)(77-81)(77-92)(78-79)(78-123)(79-105)(80-81)(80-98)(82-104)(83-101)(84-85)(84-101)(86-89)(86-102)(87-90)(87-102)(88-89)(88-90)(91-94)(91-119)(92-106)(92-123)(93-94)(95-97)(95-120)(96-97)(98-106)(98-125)(99-101)(99-103)(100-102)(100-104)(103-121)(104-122)(105-106)(105-124)(107-128)(108-128)(109-131)(110-132)(111-133)(112-134)(113-117)(113-128)(114-115)(114-127)(115-129)(116-118)(116-127)(117-130)(118-129)(119-120)(119-131)(120-132)(121-122)(121-133)(122-134)(123-129)(124-130)(124-135)(125-130)(125-136)(126-127)(126-137)(126-138)(131-139)(132-139)(133-139)(134-139)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW4806.9— 10.1021/acs.jmedchem.5c00384 2025
HK-28.2— 10.1021/acs.jmedchem.5c00384 2025
MDA-MB-231—— 10.1021/acs.jmedchem.5c00384 2025
MGC-803—— 10.1021/acs.jmedchem.5c00384 2025
A549—— 10.1021/acs.jmedchem.5c00384 2025
A549cisR—— 10.1021/acs.jmedchem.5c00384 2025

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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