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Complex #4818 — Ru(2) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID4818
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation6
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCNc2ccnc(-c3cc(NCCNC(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C82H72N14O8RuS2/(1-73)(2-129)(3-76)(4-74)(5-77)(6-79)(7-130)(8-83)(9-78)(10-81)(11-86)(12-80)(13-82)(14-89)(15-85)(16-75)(17-106)(18-133)(19-136)(20-135)(21-113)(22-114)(23-93)(24-94)(25-113)(26-114)(27-135)(28-136)(29-109)(30-138)(31-97)(32-108)(33-87)(34-88)(35-91)(36-90)(37-101)(38-104)(39-111)(40-115)(41-137)(42-115)(43-98)(44-92)(45-131)(46-134)(47-137)(48-116)(49-95)(50-99)(51-84)(52-100)(53-105)(54-96)(55-112)(56-132)(57-103)(58-138)(59-110)(60-102)(61-107)(62-116)(63-156)(64-161)(65-161)(66-155)(67-158)(68-157)(69-162)(70-160)(71-159)(72-162)(73-74)(73-77)(74-79)(75-83)(75-86)(76-118)(76-129)(77-119)(78-79)(78-119)(80-83)(80-122)(81-91)(81-117)(82-86)(82-122)(84-89)(84-92)(85-123)(85-130)(87-125)(87-131)(88-89)(88-124)(90-92)(90-124)(91-120)(93-94)(93-141)(94-153)(95-97)(95-153)(96-98)(96-154)(97-141)(98-147)(99-103)(99-104)(100-126)(100-132)(101-105)(101-121)(102-103)(102-107)(104-127)(105-128)(106-142)(106-144)(107-127)(108-143)(108-148)(109-133)(109-142)(110-112)(110-154)(111-134)(111-143)(112-147)(113-114)(113-149)(114-150)(115-116)(115-151)(116-152)(117-118)(117-139)(118-119)(120-123)(120-140)(121-125)(121-145)(122-123)(124-125)(126-127)(126-128)(128-146)(129-163)(130-164)(131-165)(132-168)(133-166)(134-167)(135-136)(135-156)(136-158)(137-138)(137-159)(138-160)(139-140)(139-163)(140-164)(141-155)(142-158)(143-159)(144-148)(144-166)(145-146)(145-165)(146-168)(147-157)(148-167)(149-156)(149-170)(150-155)(150-169)(151-157)(151-171)(152-160)(152-172)(153-177)(154-178)(161-177)(162-178)(163-179)(164-179)(165-179)(166-179)(167-179)(168-179)(173-177)(174-177)(175-178)(176-178)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—0.6 10.1039/d3sc03932c 2023
A549—2.4 10.1039/d3sc03932c 2023
A549—8.1 10.1039/d3sc03932c 2023
A549—— 10.1039/d3sc03932c 2023
MDA-MB-231—0.6 10.1039/d3sc03932c 2023
MDA-MB-231—2.3 10.1039/d3sc03932c 2023
MDA-MB-231—5.2 10.1039/d3sc03932c 2023
MDA-MB-231—— 10.1039/d3sc03932c 2023

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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