home← all complexes Ir builderC^N familiesD-MPNN

Complex #341 — Ru(2) [Ru3]

2D Structure

Structure
⬇ MOL V3000

Info

ID341
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu3
SMILESO=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C69H52FN9O2Ru/(1-103)(2-53)(3-55)(4-54)(5-59)(6-56)(7-61)(8-57)(9-66)(10-70)(11-69)(12-58)(13-60)(14-106)(15-77)(16-107)(17-67)(18-78)(19-111)(20-62)(21-88)(22-88)(23-87)(24-87)(25-86)(26-86)(27-63)(28-105)(29-110)(30-111)(31-71)(32-79)(33-64)(34-76)(35-65)(36-80)(37-81)(38-82)(39-109)(40-104)(41-110)(42-72)(43-84)(44-68)(45-85)(46-108)(47-75)(48-83)(49-74)(50-73)(51-123)(52-132)(53-54)(53-91)(54-60)(55-90)(55-103)(56-96)(56-106)(57-58)(57-89)(58-93)(59-61)(59-91)(60-61)(62-63)(62-102)(63-105)(64-70)(64-71)(65-76)(65-80)(66-92)(66-107)(67-98)(67-108)(68-75)(68-95)(69-70)(69-94)(71-77)(72-74)(72-104)(73-97)(73-117)(74-97)(75-101)(76-78)(77-94)(78-99)(79-80)(79-99)(81-82)(81-100)(82-85)(83-84)(83-85)(84-100)(86-87)(86-88)(87-110)(88-111)(89-90)(89-112)(90-91)(92-93)(92-94)(93-113)(95-96)(95-115)(96-99)(97-118)(98-100)(98-101)(101-116)(102-114)(102-117)(103-125)(104-130)(105-122)(106-126)(107-128)(108-129)(109-121)(109-124)(110-124)(111-123)(112-113)(112-125)(113-128)(114-118)(114-122)(115-116)(115-126)(116-129)(117-123)(118-130)(119-121)(119-127)(119-132)(120-124)(120-127)(120-131)(121-133)(125-134)(126-134)(127-134)(128-134)(129-134)(130-134)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa7.4— 10.1016/j.jinorgbio.2022.11172... 2022
HepG210— 10.1016/j.jinorgbio.2022.11172... 2022
Caco-214— 10.1016/j.jinorgbio.2022.11172... 2022
KYSE-14014— 10.1016/j.jinorgbio.2022.11172... 2022
MCF-730— 10.1016/j.jinorgbio.2022.11172... 2022
A54931— 10.1016/j.jinorgbio.2022.11172... 2022
LO237— 10.1016/j.jinorgbio.2022.11172... 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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.