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Complex #6379 — Re(1) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID6379
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 1, "P": 1, "O": 3}
Abbreviation5
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1SCC(=O)[N-]c1ccccc1P(=S)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C33H35NO4PReS2/(1-37)(2-50)(3-37)(4-49)(5-68)(6-53)(7-67)(8-37)(9-67)(10-41)(11-40)(12-48)(13-42)(14-52)(15-54)(16-38)(17-54)(18-53)(19-39)(20-43)(21-36)(22-55)(23-38)(24-55)(25-36)(26-45)(27-36)(28-57)(29-58)(30-38)(31-56)(32-47)(33-44)(34-51)(35-46)(36-56)(37-58)(38-58)(39-40)(39-64)(40-41)(41-42)(42-43)(43-64)(44-45)(44-65)(45-48)(46-47)(46-65)(47-48)(49-50)(49-52)(50-59)(51-52)(51-66)(53-56)(53-68)(54-55)(54-56)(55-57)(57-58)(57-68)(59-66)(59-69)(60-70)(61-71)(62-73)(63-67)(63-69)(63-72)(64-74)(65-74)(66-74)(67-76)(68-76)(69-77)(74-75)(74-77)(76-77)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11618— 10.32931/io1923a 2019
PC-323— 10.32931/io1923a 2019
MCF-732— 10.32931/io1923a 2019
HEK29332— 10.32931/io1923a 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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