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Complex #456 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID456
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation3
SMILESCC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C(CCCC[C@H]1SC[C@H]2N=C(O)N[C@H]21)NCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

TUCAN

C76H68BF2N11O3RuS/(1-102)(2-106)(3-82)(4-79)(5-110)(6-84)(7-83)(8-70)(9-144)(10-145)(11-93)(12-80)(13-123)(14-144)(15-107)(16-71)(17-140)(18-70)(19-70)(20-106)(21-122)(22-108)(23-91)(24-96)(25-103)(26-95)(27-81)(28-73)(29-101)(30-77)(31-109)(32-98)(33-125)(34-76)(35-125)(36-121)(37-97)(38-139)(39-100)(40-99)(41-138)(42-108)(43-110)(44-71)(45-78)(46-140)(47-107)(48-71)(49-109)(50-72)(51-72)(52-105)(53-85)(54-92)(55-88)(56-89)(57-104)(58-90)(59-124)(60-87)(61-73)(62-86)(63-94)(64-73)(65-72)(66-150)(67-149)(68-159)(69-151)(69-152)(69-160)(69-161)(70-128)(71-114)(72-119)(73-135)(74-75)(74-120)(75-111)(76-77)(76-127)(77-99)(78-79)(78-80)(79-134)(80-123)(81-118)(81-126)(82-91)(82-120)(83-84)(83-111)(84-115)(85-92)(85-105)(86-113)(86-131)(87-90)(87-115)(88-94)(88-120)(89-103)(89-104)(90-111)(91-112)(92-129)(93-114)(93-128)(94-112)(95-98)(95-117)(96-118)(96-133)(97-100)(97-117)(98-141)(99-121)(100-141)(101-119)(101-135)(102-113)(102-136)(103-122)(104-130)(105-124)(106-108)(106-110)(107-108)(107-142)(109-125)(109-140)(110-145)(112-113)(114-132)(115-116)(116-132)(116-137)(117-118)(119-137)(121-147)(122-148)(123-155)(124-156)(125-150)(126-127)(126-146)(127-147)(128-151)(129-131)(129-156)(130-136)(130-148)(131-154)(132-151)(133-134)(133-146)(134-155)(135-152)(136-154)(137-152)(138-139)(138-145)(138-149)(139-144)(139-153)(140-158)(141-158)(142-150)(142-157)(143-149)(143-153)(143-159)(144-162)(145-162)(153-163)(154-163)(155-163)(156-163)(159-163)(162-163)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa—0.17 10.1002/ejic.202200487 2022
NCI-H1299—0.57 10.1002/ejic.202200487 2022
HEK293—3.2 10.1002/ejic.202200487 2022

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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