Info
| ID | 5134 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 3 |
| SMILES | O=C(Nc1cc2cccnc2c2ncccc12)C1Cc2ccccc2OC1=O.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C40H27IrN5O3S2/(1-64)(2-65)(3-42)(4-54)(5-47)(6-35)(7-31)(8-37)(9-40)(10-44)(11-36)(12-55)(13-34)(14-41)(15-52)(16-53)(17-46)(18-45)(19-47)(20-30)(21-43)(22-32)(23-33)(24-38)(25-39)(26-51)(27-68)(28-30)(28-66)(29-43)(29-67)(30-64)(31-32)(31-35)(32-52)(33-34)(33-53)(34-41)(35-56)(36-48)(36-58)(37-38)(37-49)(38-46)(39-45)(39-48)(40-44)(40-54)(41-59)(42-46)(42-61)(43-65)(44-50)(45-55)(47-49)(47-51)(48-57)(49-61)(50-58)(50-60)(51-62)(51-63)(52-71)(53-72)(54-70)(55-69)(56-66)(56-71)(57-60)(57-69)(58-68)(59-67)(59-72)(60-70)(61-75)(62-68)(62-73)(63-74)(63-75)(64-76)(65-77)(66-76)(67-77)(69-78)(70-78)(71-78)(72-78)(75-78)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 0.45 | — | 10.1039/C6DT00601A | 2016 |
| A549 | 0.8 | — | 10.1039/C6DT00601A | 2016 |
| HepG2 | 1.6 | — | 10.1039/C6DT00601A | 2016 |
| HeLa | 2 | — | 10.1039/C6DT00601A | 2016 |
| LO2 | 7.4 | — | 10.1039/C6DT00601A | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.