Info
| ID | 5044 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 6} |
| Abbreviation | 6i |
| SMILES | O=[N+]([O-])c1ccc(-n2cc(-c3ccccn3)nn2)cc1C(F)(F)F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C36H24F3IrN7O2/(1-33)(2-38)(3-29)(4-30)(5-27)(6-43)(7-32)(8-35)(9-50)(10-28)(11-31)(12-41)(13-46)(14-37)(15-36)(16-39)(17-53)(18-40)(19-45)(20-52)(21-42)(22-51)(23-44)(24-34)(25-30)(25-47)(26-40)(26-49)(27-30)(27-43)(28-29)(28-50)(29-33)(31-34)(31-35)(32-40)(32-44)(33-54)(34-53)(35-55)(36-48)(36-59)(37-42)(37-51)(38-43)(38-47)(39-44)(39-49)(41-45)(41-59)(42-46)(45-56)(46-57)(47-54)(48-56)(48-60)(49-55)(50-65)(51-64)(52-58)(52-61)(53-66)(54-65)(55-66)(56-63)(57-58)(57-64)(58-67)(59-61)(60-70)(60-71)(60-72)(61-62)(62-67)(63-68)(63-69)(64-73)(65-73)(66-73)(67-73)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LNCaP | 0.72 | — | 10.1016/j.ejmech.2015.12.035 | 2016 |
| PC-3 | 1.4 | — | 10.1016/j.ejmech.2015.12.035 | 2016 |
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.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.