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Complex #6197 — Re(1) [3b]

2D Structure

Structure
⬇ MOL V3000

Info

ID6197
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 4, "O": 3}
Abbreviation3b
SMILESBrc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]

TUCAN

C22H11BrN4O3Re/(1-24)(2-18)(3-17)(4-13)(5-14)(6-16)(7-19)(8-12)(9-15)(10-23)(11-35)(12-15)(12-20)(13-14)(13-33)(14-22)(15-23)(16-19)(16-22)(17-18)(17-21)(18-24)(19-33)(20-25)(20-26)(21-27)(21-28)(22-29)(23-34)(24-36)(25-27)(25-34)(26-28)(26-35)(27-36)(28-37)(29-35)(29-37)(30-38)(31-39)(32-40)(33-41)(36-42)(37-42)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-729— 10.1039/d3dt04383e 2024
HeLa63— 10.1039/d3dt04383e 2024
MDA-MB-2316825 10.1002/chem.202401720 2024
HEK29385— 10.1039/d3dt04383e 2024
MRC-59897 10.1002/chem.202401720 2024

🧬 Cell Death Types (1)

Apoptosis high
«Complex 3c also showed competency to induce apoptosis in MCF-7 cells through G2/M phase cell-cycle arrest in association with the generation of ample reactive oxygen species (ROS), eventually leading ...»

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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