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Complex #6477 — Os(2) [Os4]

2D Structure

Structure
⬇ MOL V3000

Info

ID6477
MetalOs
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 4}
AbbreviationOs4
SMILESCc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.[Cl-]

TUCAN

C25H23N5O2OsS/(1-32)(2-24)(3-33)(4-25)(5-38)(6-24)(7-28)(8-36)(9-30)(10-35)(11-31)(12-27)(13-37)(14-29)(15-42)(16-25)(17-25)(18-34)(19-26)(20-24)(21-26)(22-41)(23-26)(24-39)(25-41)(26-41)(27-29)(27-36)(28-31)(28-43)(29-30)(30-47)(31-46)(32-33)(32-39)(33-40)(34-38)(34-40)(35-37)(35-43)(36-45)(37-46)(38-39)(40-41)(42-44)(42-49)(43-49)(44-48)(44-53)(45-47)(45-52)(46-51)(47-56)(48-52)(48-56)(49-50)(50-53)(51-54)(51-55)(52-57)(53-57)(56-57)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa36— 10.1039/d4qi02737j 2025
RD43— 10.1039/d4qi02737j 2025
PSN143— 10.1039/d4qi02737j 2025
MDA-MB-23144— 10.1039/d4qi02737j 2025
HCT-11645— 10.1039/d4qi02737j 2025
MCF-745— 10.1039/d4qi02737j 2025
MRC-569— 10.1039/d4qi02737j 2025

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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