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Complex #6322 — Re(1) [8]

2D Structure

Structure
⬇ MOL V3000

Info

ID6322
MetalRe
Oxidation state1
Charge0
Donor atoms{"O": 4, "N": 2}
Abbreviation8
SMILESO=C([O-])c1ncc(F)cc1F.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1

TUCAN

C14H7F2N2O5Re/(1-12)(2-9)(3-13)(4-10)(5-8)(6-11)(7-14)(8-9)(8-10)(9-12)(10-13)(11-20)(11-21)(12-22)(13-22)(14-20)(14-23)(15-19)(15-21)(15-23)(16-24)(17-25)(18-26)(19-27)(19-28)(20-30)(21-29)(22-31)(23-31)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Vero90— 10.1007/s00775-022-01971-2 2023
HeLa1.5e+02— 10.1007/s00775-022-01971-2 2023
A5491.6e+02— 10.1007/s00775-022-01971-2 2023

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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