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Complex #6215 — Re(1) [Retp1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6215
MetalRe
Oxidation state1
Charge0
Donor atoms{"O": 3, "N": 3}
AbbreviationRetp1
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

TUCAN

C24H15N3O3Re/(1-22)(2-18)(3-31)(4-17)(5-23)(6-19)(7-16)(8-28)(9-27)(10-21)(11-32)(12-26)(13-25)(14-24)(15-20)(16-23)(16-26)(17-18)(17-30)(18-24)(19-29)(19-34)(20-21)(20-22)(21-32)(22-33)(23-31)(24-27)(25-27)(25-30)(26-36)(28-29)(28-35)(29-30)(31-42)(32-40)(33-34)(33-40)(34-41)(35-36)(35-41)(36-42)(37-43)(38-44)(39-45)(41-46)(42-46)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—28 10.1039/d4dt01309c 2024
HeLa—30 10.1039/d4dt01309c 2024
BEAS-2B—44 10.1039/d4dt01309c 2024

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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