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Complex #6193 — Re(1) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6193
MetalRe
Oxidation state1
Charge0
Donor atoms{"S": 1, "O": 3, "N": 2}
Abbreviation2a
SMILESCOC(=O)CC(C)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1

TUCAN

C18H17N2O5ReS/(1-26)(2-20)(3-27)(4-18)(5-18)(6-35)(7-33)(8-33)(9-18)(10-19)(11-23)(12-24)(13-22)(14-21)(15-33)(16-25)(17-25)(18-35)(19-20)(19-23)(20-26)(21-22)(21-24)(22-27)(23-28)(24-29)(25-34)(25-35)(26-36)(27-37)(28-29)(28-36)(29-37)(30-38)(31-39)(32-40)(33-42)(34-41)(34-42)(35-43)(36-44)(37-44)(42-44)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HFF-163— 10.1039/d4dt00149d 2024
MDA-MB-23187— 10.1039/d4dt00149d 2024
MCF-789— 10.1039/d4dt00149d 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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