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Complex #6254 — Re(1) [4a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6254
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 4, "O": 3}
Abbreviation4a
SMILESNCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12

TUCAN

C21H16N4O3Re/(1-29)(2-17)(3-31)(4-28)(5-23)(6-24)(7-32)(8-20)(9-30)(10-22)(11-18)(12-19)(13-21)(14-32)(15-38)(16-38)(17-20)(17-25)(18-22)(18-26)(19-21)(19-25)(20-29)(21-26)(22-30)(23-24)(23-28)(24-27)(25-33)(26-34)(27-31)(27-32)(28-41)(29-39)(30-40)(31-41)(32-38)(33-34)(33-39)(34-40)(35-42)(36-43)(37-44)(39-45)(40-45)(41-45)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR36— 10.1021/acsami.7b01764 2017
A54940— 10.1021/acsami.7b01764 2017
LO248— 10.1021/acsami.7b01764 2017
HeLa52— 10.1021/acsami.7b01764 2017

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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