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Complex #6695 — Os(2) [(18) [Os(η6-p-cym)(5-MeO{CH2CH2O}2-AZPY)I]PF6]

2D Structure

Structure
⬇ MOL V3000

Info

ID6695
MetalOs
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation(18) [Os(η6-p-cym)(5-MeO{CH2CH2O}2-AZPY)I]PF6
SMILESCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]

TUCAN

C26H33N3O3Os/(1-36)(2-38)(3-34)(4-37)(5-34)(6-39)(7-50)(8-46)(9-34)(10-36)(11-35)(12-35)(13-36)(14-41)(15-45)(16-42)(17-35)(18-54)(19-54)(20-54)(21-56)(22-56)(23-58)(24-58)(25-55)(26-55)(27-57)(28-57)(29-43)(30-51)(31-40)(32-44)(33-47)(34-50)(35-50)(36-49)(37-38)(37-48)(38-49)(39-46)(39-49)(40-41)(40-52)(41-42)(42-45)(43-44)(43-59)(44-53)(45-47)(46-48)(47-52)(48-50)(51-59)(51-60)(52-61)(53-60)(53-62)(54-65)(55-58)(55-65)(56-57)(56-63)(57-64)(58-64)(59-63)(61-62)(61-66)(62-66)(65-66)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27801.8— 10.1016/j.jinorgbio.2020.11115... 2020
MRC-57.4— 10.1016/j.jinorgbio.2020.11115... 2020
MCF-710— 10.1016/j.jinorgbio.2020.11115... 2020

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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