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Complex #6235 — Re(1) [Re1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6235
MetalRe
Oxidation state1
Charge1
Donor atoms{"O": 3, "N": 4}
AbbreviationRe1
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1ccncc1

TUCAN

C24H16N4O3Re/(1-17)(2-30)(3-32)(4-22)(5-31)(6-25)(7-18)(8-33)(9-26)(10-21)(11-27)(12-23)(13-19)(14-20)(15-24)(16-41)(17-19)(17-30)(18-20)(18-21)(19-25)(20-37)(21-26)(22-23)(22-27)(23-36)(24-28)(24-33)(25-32)(26-29)(27-31)(28-29)(28-35)(29-37)(30-42)(31-43)(32-42)(33-44)(34-35)(34-36)(34-44)(35-41)(36-43)(37-41)(38-45)(39-46)(40-47)(42-48)(43-48)(44-48)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa2.2— 10.1039/c9dt00322c 2019
MCF-72.4— 10.1039/c9dt00322c 2019
A549cisR3— 10.1039/c9dt00322c 2019
A5494.3— 10.1039/c9dt00322c 2019
HLF14— 10.1039/c9dt00322c 2019

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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