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Complex #476 — Ru(2) [Ru4]

2D Structure

Structure
⬇ MOL V3000

Info

ID476
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu4
SMILESOC[C@H]1O[C@@H](Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(Oc4ccccc4)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C85H62N8O7Ru/(1-71)(2-63)(3-66)(4-123)(5-68)(6-64)(7-75)(8-65)(9-67)(10-72)(11-76)(12-88)(13-144)(14-95)(15-69)(16-77)(17-99)(18-78)(19-80)(20-147)(21-146)(22-105)(23-128)(24-83)(25-104)(26-87)(27-127)(28-82)(29-93)(30-94)(31-145)(32-70)(33-97)(34-79)(35-89)(36-124)(37-100)(38-73)(39-143)(40-103)(41-107)(42-74)(43-139)(44-139)(45-85)(46-102)(47-125)(48-101)(49-90)(50-92)(51-91)(52-96)(53-98)(54-81)(55-86)(56-106)(57-126)(58-84)(59-156)(60-157)(61-158)(62-161)(63-66)(63-71)(64-66)(64-72)(65-68)(65-76)(67-68)(67-77)(69-79)(69-99)(70-73)(70-109)(71-108)(72-108)(73-111)(74-90)(74-114)(75-112)(75-123)(76-110)(77-110)(78-89)(78-99)(79-116)(80-81)(80-132)(81-140)(82-87)(82-118)(83-105)(83-113)(84-86)(84-132)(85-95)(85-141)(86-140)(87-142)(88-115)(88-124)(89-116)(90-121)(91-97)(91-117)(92-119)(92-125)(93-104)(93-127)(94-95)(94-103)(96-101)(96-117)(97-100)(98-120)(98-126)(100-101)(102-107)(102-118)(103-106)(104-122)(105-128)(106-141)(107-142)(108-112)(109-112)(109-129)(110-115)(111-115)(111-130)(113-133)(113-137)(114-119)(114-131)(116-119)(117-120)(118-138)(120-121)(121-136)(122-134)(122-135)(123-150)(124-151)(125-152)(126-154)(127-148)(128-155)(129-130)(129-150)(130-151)(131-136)(131-152)(132-149)(133-134)(133-153)(134-149)(135-137)(135-148)(136-154)(137-155)(138-149)(138-153)(139-146)(139-161)(140-159)(141-159)(142-160)(143-145)(143-147)(143-157)(144-145)(144-146)(144-158)(145-156)(146-162)(147-160)(147-162)(150-163)(151-163)(152-163)(153-163)(154-163)(155-163)(161-163)(162-163)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa883.1 10.1039/d0cc01148g 2020
HepG2953.6 10.1039/d0cc01148g 2020
A549cisR14 10.1039/d0cc01148g 2020
A54910 10.1039/d0cc01148g 2020
LO223 10.1039/d0cc01148g 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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