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Complex #6246 — Re(1) [2-Et-NH2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6246
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 5, "O": 3}
Abbreviation2-Et-NH2
SMILESCCNC(=O)c1cncc(N)c1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C27H27N5O4Re/(1-33)(2-29)(3-43)(4-28)(5-28)(6-29)(7-34)(8-29)(9-30)(10-32)(11-32)(12-32)(13-35)(14-46)(15-28)(16-30)(17-44)(18-30)(19-45)(20-47)(21-47)(22-31)(23-31)(24-31)(25-55)(26-56)(27-55)(28-37)(29-39)(30-40)(31-38)(32-47)(33-34)(33-36)(34-41)(35-42)(35-50)(36-39)(36-48)(37-39)(37-43)(38-40)(38-44)(40-41)(41-49)(42-46)(42-54)(43-57)(44-58)(45-50)(45-59)(46-59)(47-56)(48-49)(48-57)(49-58)(50-55)(51-60)(52-61)(53-63)(54-56)(54-62)(57-64)(58-64)(59-64)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa5— 10.1021/ic301948d 2012

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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