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Complex #6368 — Re(1) [Re–COOH]

2D Structure

Structure
⬇ MOL V3000

Info

ID6368
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
AbbreviationRe–COOH
SMILESO=C(O)CCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C28H25N3O5Re/(1-27)(2-43)(3-44)(4-44)(5-34)(6-26)(7-33)(8-43)(9-38)(10-39)(11-36)(12-40)(13-28)(14-29)(15-45)(16-38)(17-39)(18-45)(19-40)(20-32)(21-30)(22-31)(23-35)(24-37)(25-61)(26-27)(26-28)(27-29)(28-46)(29-41)(30-32)(30-47)(31-33)(31-42)(32-33)(34-36)(34-41)(35-37)(35-42)(36-48)(37-49)(38-40)(38-44)(39-40)(39-53)(41-46)(42-47)(43-48)(43-54)(44-54)(45-49)(45-54)(46-55)(47-56)(48-55)(49-56)(50-57)(51-59)(52-60)(53-58)(53-61)(55-62)(56-62)(61-62)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa—— 10.1039/c3dt51817e 2014
MRC-5—— 10.1039/c3dt51817e 2014

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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