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Complex #6266 — Re(1) [13]

2D Structure

Structure
⬇ MOL V3000

Info

ID6266
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 3, "O": 4}
Abbreviation13
SMILESCCC(C)C(NC(C)=O)C(=O)[O-].C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C20N5O6Re/(1-5)(2-4)(3-19)(4-5)(5-12)(6-22)(7-24)(8-9)(8-22)(9-23)(10-11)(10-25)(11-24)(12-20)(12-21)(13-22)(13-23)(14-23)(14-25)(15-24)(15-25)(16-26)(17-28)(18-31)(19-21)(19-30)(20-27)(20-29)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
PC-37.3— 10.1039/d2dt00447j 2022
MDA-MB-23112— 10.1039/d2dt00447j 2022
ADHF16— 10.1039/d2dt00447j 2022
HepG220— 10.1039/d2dt00447j 2022

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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