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Complex #2427 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2427
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "S": 1, "P": 1}
Abbreviation3
SMILESNc1cc(N)nc([S-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C42H41N6P2RuS/(1-45)(2-46)(3-77)(4-43)(5-42)(6-57)(7-44)(8-51)(9-77)(10-69)(11-69)(12-47)(13-52)(14-70)(15-50)(16-71)(17-78)(18-56)(19-53)(20-61)(21-70)(22-78)(23-58)(24-54)(25-55)(26-59)(27-60)(28-63)(29-64)(30-62)(31-65)(32-48)(33-49)(34-67)(35-66)(36-72)(37-68)(38-84)(39-84)(40-85)(41-85)(42-43)(42-44)(43-45)(44-46)(45-79)(46-79)(47-51)(47-80)(48-49)(48-50)(49-73)(50-71)(51-57)(52-53)(52-57)(53-80)(54-56)(54-81)(55-58)(55-81)(56-61)(58-61)(59-60)(59-64)(60-82)(62-63)(62-82)(63-64)(65-66)(65-72)(66-67)(67-74)(68-75)(68-76)(69-70)(69-77)(70-78)(71-88)(72-89)(73-74)(73-88)(74-89)(75-84)(75-86)(76-85)(76-87)(77-90)(78-91)(79-90)(80-90)(81-91)(82-91)(83-86)(83-87)(83-92)(86-93)(87-93)(88-93)(89-93)(90-93)(91-93)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2312— 10.1039/C9DT01905G 2019
B16-F103.9— 10.3389/fonc.2019.00562 2019
MCF-73.9— 10.1039/C9DT01905G 2019
A5494.2— 10.1039/C9DT01905G 2019
K-5624.6— 10.3389/fonc.2019.00562 2019
SCC-44.7— 10.3389/fonc.2019.00562 2019
HL605— 10.3389/fonc.2019.00562 2019
HSC-35.2— 10.3389/fonc.2019.00562 2019
DU-1455.8— 10.1039/C9DT01905G 2019
HCT-1165.9— 10.3389/fonc.2019.00562 2019
HepG26.8— 10.1039/C9DT01905G 2019
HepG27.2— 10.3389/fonc.2019.00562 2019
MRC-58.3— 10.1039/C9DT01905G 2019
MCF-78.7— 10.3389/fonc.2019.00562 2019

🧬 Cell Death Types (1)

Apoptosis high
«coincubation with a pan-caspase inhibitor (Z-VAD(OMe)-FMK) reduced the levels of apoptosis that were induced by these compounds compared to those in the negative controls, indicating that cell death t...»

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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