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Complex #6307 — Re(1) [5bRe]

2D Structure

Structure
⬇ MOL V3000

Info

ID6307
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 3, "O": 3}
Abbreviation5bRe
SMILESFC(F)(F)c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Cl)ccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]

TUCAN

C22H15ClF3N3O5Re/(1-23)(2-23)(3-34)(4-26)(5-25)(6-22)(7-21)(8-17)(9-18)(10-34)(11-16)(12-33)(13-19)(14-33)(15-20)(16-19)(16-27)(17-18)(17-29)(18-21)(19-37)(20-24)(20-37)(21-25)(22-28)(22-35)(23-26)(23-29)(24-27)(24-35)(25-39)(26-40)(27-38)(28-36)(28-38)(29-39)(30-41)(31-42)(32-43)(33-34)(33-44)(34-45)(35-44)(36-46)(36-47)(36-48)(37-49)(39-50)(40-45)(40-50)(44-50)(45-50)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HuT7810— 10.1016/j.jinorgbio.2024.11277... 2024
HeLa21— 10.1016/j.jinorgbio.2024.11277... 2024
THP-127— 10.1016/j.jinorgbio.2024.11277... 2024
Caco-229— 10.1016/j.jinorgbio.2024.11277... 2024
BJ30— 10.1016/j.jinorgbio.2024.11277... 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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