Info
| ID | 5742 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir2 |
| SMILES | Clc1ccnc2c1ccc1c(Cl)ccnc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C42H26Cl2IrN4/(1-45)(2-42)(3-32)(4-34)(5-43)(6-37)(7-33)(8-30)(9-39)(10-29)(11-60)(12-61)(13-48)(14-49)(15-44)(16-31)(17-47)(18-46)(19-35)(20-40)(21-38)(22-59)(23-36)(24-41)(25-62)(26-50)(27-29)(27-51)(28-41)(28-52)(29-34)(30-32)(30-45)(31-56)(31-59)(32-37)(33-34)(33-42)(35-57)(35-62)(36-43)(36-47)(37-56)(38-44)(38-46)(39-43)(39-57)(40-50)(40-55)(41-46)(42-51)(44-52)(45-53)(47-54)(48-60)(48-67)(49-61)(49-68)(50-58)(51-65)(52-66)(53-56)(53-65)(54-57)(54-66)(55-63)(55-67)(58-64)(58-68)(59-69)(60-71)(61-72)(62-70)(63-64)(63-71)(64-72)(65-69)(66-70)(67-73)(68-74)(69-75)(70-75)(71-75)(72-75)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4.7 | — | 10.1016/j.bioorg.2023.106867 | 2023 |
| NCI-H1299 | 11 | — | 10.1016/j.bioorg.2023.106867 | 2023 |
| HepG2 | 13 | — | 10.1016/j.bioorg.2023.106867 | 2023 |
| LO2 | 14 | — | 10.1016/j.bioorg.2023.106867 | 2023 |
| MDA-MB-231 | 16 | — | 10.1016/j.bioorg.2023.106867 | 2023 |
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.