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Complex #479 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID479
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation3
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1

TUCAN

C84H72N6O6Ru/(1-82)(2-76)(3-90)(4-78)(5-79)(6-81)(7-74)(8-100)(9-73)(10-75)(11-77)(12-80)(13-84)(14-145)(15-94)(16-92)(17-145)(18-83)(19-145)(20-85)(21-88)(22-133)(23-87)(24-146)(25-93)(26-86)(27-91)(28-97)(29-101)(30-146)(31-146)(32-147)(33-134)(34-135)(35-147)(36-147)(37-95)(38-148)(39-108)(40-148)(41-110)(42-98)(43-148)(44-104)(45-136)(46-89)(47-149)(48-103)(49-149)(50-99)(51-105)(52-111)(53-137)(54-96)(55-149)(56-107)(57-106)(58-102)(59-150)(60-138)(61-120)(62-113)(63-150)(64-112)(65-114)(66-150)(67-109)(68-115)(69-118)(70-117)(71-116)(72-119)(73-82)(73-123)(74-76)(74-121)(75-79)(75-121)(76-151)(77-81)(77-122)(78-123)(78-133)(79-151)(80-85)(80-122)(81-152)(82-121)(83-123)(83-139)(84-87)(84-124)(85-152)(86-126)(86-140)(87-153)(88-93)(88-124)(89-97)(89-125)(90-92)(90-122)(91-127)(91-141)(92-126)(93-153)(94-126)(94-134)(95-100)(95-127)(96-108)(96-125)(97-154)(98-127)(98-135)(99-130)(99-136)(100-124)(101-103)(101-125)(102-111)(102-128)(103-130)(104-130)(104-142)(105-131)(105-137)(106-110)(106-131)(107-131)(107-143)(108-154)(109-132)(109-138)(110-128)(111-155)(112-113)(112-128)(113-155)(114-117)(114-129)(115-118)(115-156)(116-119)(116-156)(117-132)(118-129)(119-129)(120-132)(120-144)(133-157)(134-158)(135-159)(136-160)(137-161)(138-162)(139-140)(139-157)(140-158)(141-142)(141-159)(142-160)(143-144)(143-161)(144-162)(145-163)(146-164)(147-165)(148-166)(149-167)(150-168)(151-163)(152-164)(153-165)(154-166)(155-167)(156-168)(157-169)(158-169)(159-169)(160-169)(161-169)(162-169)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RPE-1—54 10.1038/s41467-020-16993-0 2020
RPE-1—45 10.1038/s41467-020-16993-0 2020
HeLa—15 10.1038/s41467-020-16993-0 2020
HeLa—11 10.1038/s41467-020-16993-0 2020
CT-26—19 10.1038/s41467-020-16993-0 2020
CT-26—23 10.1038/s41467-020-16993-0 2020
U373—41 10.1038/s41467-020-16993-0 2020
U373—51 10.1038/s41467-020-16993-0 2020
HeLa—14 10.1002/ejic.202000545 2020

🧬 Cell Death Types (2)

Apoptosis high
«While apoptosis was found to be the cell death mechanism for 1 – 5, 6 – 7 triggered cell death by a combination of apoptosis and paraptosis pathways.»
Paraptosis high
«While apoptosis was found to be the cell death mechanism for 1 – 5, 6 – 7 triggered cell death by a combination of apoptosis and paraptosis pathways.»

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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