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Complex #6319 — Re(1) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID6319
MetalRe
Oxidation state1
Charge0
Donor atoms{"O": 5, "N": 1}
Abbreviation5
SMILESCO.O=C([O-])c1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C10H8NO6Re/(1-11)(2-17)(3-9)(4-12)(5-17)(6-17)(7-10)(8-25)(9-11)(9-12)(10-11)(10-13)(12-19)(13-18)(13-19)(14-20)(15-22)(16-24)(17-25)(18-21)(18-23)(19-26)(25-26)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Vero80— 10.1007/s00775-022-01971-2 2023
HeLa99— 10.1007/s00775-022-01971-2 2023
A5491.3e+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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