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Complex #6252 — Re(1) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6252
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
Abbreviation2a
SMILESOCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12

TUCAN

C21H15N3O4Re/(1-28)(2-19)(3-29)(4-30)(5-27)(6-17)(7-23)(8-20)(9-16)(10-18)(11-21)(12-22)(13-36)(14-36)(15-43)(16-19)(16-24)(17-23)(17-27)(18-21)(18-24)(19-28)(20-22)(20-29)(21-25)(22-25)(23-26)(24-31)(25-32)(26-30)(26-36)(27-39)(28-37)(29-38)(30-39)(31-32)(31-37)(32-38)(33-40)(34-41)(35-42)(36-43)(37-44)(38-44)(39-44)(43-44)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—— 10.1021/acsami.7b01764 2017
A549cisR—— 10.1021/acsami.7b01764 2017
HeLa—— 10.1021/acsami.7b01764 2017
LO2—— 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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