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Complex #913 — Ru(2) [4c]

2D Structure

Structure
⬇ MOL V3000

Info

ID913
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4}
Abbreviation4c
SMILESCCCOC[C@H]1O[C@@H](/N=C/C=N/[C@@H]2O[C@H](COCCC)[C@@H](OCCC)[C@H](OCCC)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](OCCC)[C@@H]1OCCC.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C46H81N4O10Ru/(1-98)(2-90)(3-87)(4-82)(5-82)(6-82)(7-83)(8-91)(9-91)(10-83)(11-83)(12-87)(13-84)(14-115)(15-89)(16-94)(17-84)(18-97)(19-90)(20-116)(21-84)(22-115)(23-108)(24-123)(25-91)(26-85)(27-89)(28-85)(29-119)(30-85)(31-89)(32-86)(33-86)(34-97)(35-116)(36-86)(37-87)(38-90)(39-98)(40-88)(41-110)(42-110)(43-100)(44-100)(45-117)(46-99)(47-88)(48-88)(49-99)(50-93)(51-111)(52-111)(53-112)(54-112)(55-122)(56-106)(57-107)(58-93)(59-114)(60-114)(61-95)(62-94)(63-95)(64-94)(65-93)(66-126)(67-120)(68-117)(69-121)(70-127)(71-96)(72-96)(73-92)(74-113)(75-109)(76-118)(77-92)(78-113)(79-92)(80-128)(81-129)(82-101)(83-102)(84-103)(85-104)(86-105)(87-97)(88-95)(89-125)(90-124)(91-96)(92-98)(93-100)(94-99)(95-112)(96-113)(97-115)(98-116)(99-117)(100-110)(101-102)(101-103)(102-104)(103-105)(104-105)(106-107)(106-130)(107-131)(108-118)(108-126)(108-128)(109-123)(109-127)(109-129)(110-134)(111-121)(111-134)(112-140)(113-136)(114-120)(114-140)(115-135)(116-139)(117-138)(118-119)(118-136)(119-120)(119-135)(120-141)(121-122)(121-137)(122-123)(122-138)(123-139)(124-128)(124-132)(125-129)(125-133)(126-131)(126-141)(127-130)(127-137)(130-142)(131-142)(140-142)(141-142)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27801.5— 10.1002/aoc.5896 2020
HEK2934.2— 10.1002/aoc.5896 2020
MDA-MB-2316.6— 10.1002/aoc.5896 2020
SK-OV-315— 10.1002/aoc.5896 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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