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Complex #6517 — Os(2) [4-PF6]

2D Structure

Structure
⬇ MOL V3000

Info

ID6517
MetalOs
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation4-PF6
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Oc1ccc(/N=N/c2ccc(Br)cn2)cc1.[I-]

TUCAN

C31H36BrN3OOs/(1-37)(2-38)(3-38)(4-38)(5-39)(6-39)(7-44)(8-39)(9-41)(10-61)(11-47)(12-45)(13-37)(14-48)(15-41)(16-49)(17-41)(18-56)(19-62)(20-50)(21-55)(22-42)(23-42)(24-37)(25-40)(26-42)(27-51)(28-52)(29-43)(30-63)(31-53)(32-54)(33-46)(34-40)(35-40)(36-71)(37-57)(38-61)(39-61)(40-59)(41-62)(42-62)(43-46)(43-67)(44-47)(44-57)(45-48)(45-57)(46-65)(47-58)(48-58)(49-50)(49-59)(50-60)(51-52)(51-64)(52-66)(53-54)(53-64)(54-66)(55-56)(55-60)(56-59)(58-61)(60-62)(63-67)(63-68)(64-70)(65-68)(65-69)(66-71)(67-72)(69-70)(69-73)(70-73)(71-73)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.42— 10.1039/d1qi00512j 2021
MRC-50.44— 10.1039/d1qi00512j 2021
PC-30.64— 10.1039/d1qi00512j 2021
A5491.1— 10.1039/d1qi00512j 2021

🧬 Cell Death Types (1)

Apoptosis medium
«Cellular alterations observed included membrane blebbing and the collapse of nuclear integrity, suggesting the initiation of programmed cell death pathways, as previously reported from XRF studies usi...»

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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