Info
| ID | 5117 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C41H28IrN6O/(1-58)(2-34)(3-32)(4-33)(5-60)(6-35)(7-46)(8-48)(9-40)(10-43)(11-45)(12-50)(13-38)(14-59)(15-37)(16-52)(17-41)(18-49)(19-31)(20-39)(21-61)(22-51)(23-44)(24-47)(25-42)(26-36)(27-71)(28-76)(29-34)(29-53)(30-42)(30-54)(31-35)(31-62)(32-40)(32-53)(33-35)(33-58)(34-46)(36-43)(36-54)(37-51)(37-61)(38-50)(38-56)(39-45)(39-59)(40-46)(41-47)(41-48)(42-49)(43-49)(44-52)(44-56)(45-57)(47-63)(48-60)(50-69)(51-55)(52-69)(53-62)(54-63)(55-65)(55-66)(56-68)(57-64)(57-67)(58-72)(59-74)(60-73)(61-70)(62-72)(63-73)(64-65)(64-74)(65-70)(66-67)(66-71)(67-75)(68-71)(68-75)(69-76)(72-77)(73-77)(74-77)(75-77)(76-77)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| EMT6 | 76 | 0.6 | 10.1039/d4dt01345j | 2024 |
| 4T1 | 84 | 2 | 10.1039/d4dt01345j | 2024 |
| B16 | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| HeLa | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| SGC-7901 | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| MCF-7 | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| A549 | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| BEL-7402 | — | — | 10.1016/j.ejmech.2019.06.009 | 2019 |
| LO2 | — | — | 10.1016/j.ejmech.2019.06.009 | 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.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.