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Complex #6188 — Re(1) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID6188
MetalRe
Oxidation state1
Charge0
Donor atoms{"O": 4, "N": 3}
Abbreviation9
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1ccc(Cl)c2cccnc12.c1c[nH]cn1

TUCAN

C15H9ClN3O4Re/(1-12)(2-17)(3-10)(4-15)(5-11)(6-16)(7-19)(8-13)(9-25)(10-12)(10-14)(11-13)(11-24)(12-16)(13-23)(14-18)(14-24)(15-17)(15-26)(16-27)(17-25)(18-23)(18-27)(19-25)(19-26)(20-28)(21-29)(22-30)(23-31)(24-32)(26-33)(27-33)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL608— 10.1039/d4ra03141e 2024
HL6011— 10.1039/d4ra03141e 2024
PC-322— 10.1039/d4ra03141e 2024
MCF-10A24— 10.1039/d4ra03141e 2024
SK-OV-328— 10.1039/d4ra03141e 2024
PC-329— 10.1039/d4ra03141e 2024
SK-OV-332— 10.1039/d4ra03141e 2024
MCF-10A42— 10.1039/d4ra03141e 2024
MCF-747— 10.1039/d4ra03141e 2024
MCF-758— 10.1039/d4ra03141e 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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