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Complex #4590 — Ru(2) [(1)]

2D Structure

Structure
⬇ MOL V3000

Info

ID4590
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "O": 1, "P": 2}
Abbreviation(1)
SMILESCN(C)C(=S)N=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1

TUCAN

C56H47N4O2P2RuS/(1-50)(2-54)(3-49)(4-48)(5-55)(6-59)(7-71)(8-53)(9-51)(10-90)(11-91)(12-57)(13-56)(14-79)(15-84)(16-86)(17-78)(18-65)(19-52)(20-58)(21-60)(22-63)(23-62)(24-80)(25-85)(26-66)(27-67)(28-69)(29-64)(30-68)(31-61)(32-72)(33-75)(34-70)(35-73)(36-76)(37-74)(38-77)(39-88)(40-88)(41-88)(42-83)(43-82)(44-89)(45-81)(46-89)(47-89)(48-50)(48-54)(49-50)(49-98)(51-54)(51-98)(52-55)(52-99)(53-55)(53-59)(56-57)(56-79)(57-90)(58-62)(58-64)(59-60)(60-99)(61-69)(61-71)(62-63)(63-101)(64-67)(65-69)(65-97)(66-75)(66-100)(67-101)(68-70)(68-73)(70-72)(71-94)(72-76)(73-102)(74-75)(74-77)(76-102)(77-95)(78-80)(78-86)(79-92)(80-87)(81-83)(81-91)(82-85)(82-87)(83-84)(84-93)(85-86)(87-96)(88-104)(89-104)(90-106)(91-107)(92-93)(92-106)(93-107)(94-97)(94-109)(95-100)(95-109)(96-105)(96-108)(97-110)(98-110)(99-110)(100-111)(101-111)(102-111)(103-104)(103-105)(103-112)(105-113)(106-113)(107-113)(109-113)(110-113)(111-113)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5490.09— 10.1039/d1dt02851k 2022
MDA-MB-2310.1— 10.1039/d1dt02851k 2022
MCF-10A0.55— 10.1039/d1dt02851k 2022
MRC-50.7— 10.1039/d1dt02851k 2022

🧬 Cell Death Types (1)

Apoptosis high
«Investigations of the mechanism of action of complex 1 in A549 cells demonstrated that it inhibits colony formation and promotes cell cycle arrest in the G1 phase and apoptotic cell death.»

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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