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Complex #6504 — Os(2) [1-I]

2D Structure

Structure
⬇ MOL V3000

Info

ID6504
MetalOs
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation1-I
SMILESCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]

TUCAN

C23H27N3OOs/(1-29)(2-32)(3-29)(4-28)(5-28)(6-29)(7-33)(8-30)(9-30)(10-30)(11-45)(12-39)(13-36)(14-42)(15-49)(16-49)(17-31)(18-37)(19-40)(20-28)(21-34)(22-35)(23-46)(24-38)(25-31)(26-41)(27-31)(28-43)(29-45)(30-45)(31-49)(32-33)(32-43)(33-44)(34-35)(34-43)(35-44)(36-37)(36-39)(37-47)(38-40)(38-47)(39-40)(41-42)(41-48)(42-50)(44-45)(46-50)(46-51)(47-52)(48-51)(48-53)(49-54)(50-54)(52-53)(52-55)(53-55)(54-55)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
OE190.2— 10.1016/j.jinorgbio.2020.11115... 2020
SUNE10.86— 10.1016/j.jinorgbio.2020.11115... 2020
A27800.9— 10.1016/j.jinorgbio.2020.11115... 2020
A27800.92— 10.1002/anie.201610290 2016
A27800.92— 10.1016/j.jinorgbio.2020.11115... 2020
MCF-71.2— 10.1002/anie.201610290 2016
MCF-71.2— 10.1016/j.jinorgbio.2020.11115... 2020
A27801.6— 10.1016/j.jinorgbio.2020.11115... 2020
MRC-52.2— 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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