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Complex #6272 — Re(5) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID6272
MetalRe
Oxidation state5
Charge-1
Donor atoms{"N": 3, "P": 1, "O": 4}
Abbreviation6
SMILESC1N2CN3CN1CP(C2)C3.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.[O-2]

TUCAN

C34N3O7PRe/(1-2)(1-4)(2-5)(3-6)(3-8)(4-21)(5-7)(6-10)(7-21)(8-13)(9-12)(9-14)(10-22)(11-19)(11-20)(12-15)(13-22)(14-16)(15-23)(16-23)(17-19)(17-24)(18-20)(18-24)(21-28)(22-28)(23-29)(24-29)(25-35)(25-36)(26-35)(26-37)(27-36)(27-37)(28-30)(28-39)(29-31)(29-43)(30-40)(30-41)(31-42)(31-44)(32-35)(32-45)(33-36)(33-45)(34-37)(34-45)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11630— 10.1021/acs.inorgchem.9b03239 2020
HT-2937— 10.1021/acs.inorgchem.9b03239 2020
HeLa1.2e+02— 10.1021/acs.inorgchem.9b03239 2020
HEK2936.6e+02— 10.1021/acs.inorgchem.9b03239 2020

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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