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Complex #787 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID787
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "S": 1, "P": 2}
Abbreviation3
SMILESNc1cc(N)nc([S-])n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C56H53N4P4RuS/(1-64)(2-57)(3-58)(4-56)(5-60)(6-54)(7-59)(8-62)(9-55)(10-72)(11-67)(12-65)(13-71)(14-78)(15-61)(16-97)(17-98)(18-63)(19-75)(20-66)(21-81)(22-84)(23-76)(24-68)(25-99)(26-99)(27-100)(28-100)(29-89)(30-79)(31-83)(32-98)(33-74)(34-80)(35-77)(36-69)(37-70)(38-73)(39-97)(40-85)(41-87)(42-93)(43-82)(44-86)(45-88)(46-92)(47-90)(48-94)(49-91)(50-110)(51-110)(52-111)(53-111)(54-56)(54-78)(55-65)(55-72)(56-64)(57-58)(57-60)(58-59)(59-61)(60-101)(61-101)(62-63)(62-80)(63-102)(64-103)(65-104)(66-67)(66-104)(67-72)(68-71)(68-105)(69-84)(69-105)(70-85)(70-106)(71-89)(73-86)(73-106)(74-83)(74-102)(75-78)(75-103)(76-81)(76-107)(77-82)(77-107)(79-81)(79-82)(80-83)(84-89)(85-93)(86-93)(87-88)(87-108)(88-94)(90-92)(90-94)(91-95)(91-96)(92-108)(95-110)(95-112)(96-111)(96-113)(97-98)(97-114)(98-115)(99-100)(99-116)(100-117)(101-115)(102-115)(103-114)(104-116)(105-116)(106-117)(107-114)(108-117)(109-112)(109-113)(109-118)(112-119)(113-119)(115-119)(116-119)(117-119)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.2— 10.1021/acs.inorgchem.1c01539 2021
A5490.89— 10.1021/acs.inorgchem.1c01539 2021
A27800.97— 10.1016/j.jinorgbio.2024.11281... 2024
MRC-51.2— 10.1016/j.jinorgbio.2024.11281... 2024
A2780cisR1.5— 10.1016/j.jinorgbio.2024.11281... 2024
MRC-52.6— 10.1021/acs.inorgchem.1c01539 2021
DU-1453.9— 10.1021/acs.inorgchem.1c01539 2021
HepG26— 10.1021/acs.inorgchem.1c01539 2021
MCF-78.1— 10.1021/acs.inorgchem.1c01539 2021

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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