Info
| ID | 5591 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2 |
| SMILES | S=C=Nc1cc2cccnc2c2ncccc12.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1 |
TUCAN
C47H27IrN5S3/(1-49)(2-32)(3-45)(4-35)(5-47)(6-30)(7-39)(8-36)(9-44)(10-53)(11-43)(12-54)(13-52)(14-33)(15-38)(16-31)(17-41)(18-51)(19-63)(20-34)(21-46)(22-48)(23-50)(24-37)(25-40)(26-64)(27-42)(28-46)(28-55)(29-34)(29-61)(30-32)(30-39)(31-49)(31-65)(32-48)(33-34)(33-60)(35-44)(35-60)(36-44)(36-47)(37-45)(37-71)(38-46)(38-62)(39-62)(40-49)(40-51)(41-45)(41-50)(42-53)(42-56)(43-54)(43-64)(47-57)(48-58)(50-66)(51-70)(52-59)(52-68)(53-63)(54-59)(55-58)(55-73)(56-67)(56-68)(57-60)(57-61)(58-62)(59-69)(61-74)(63-75)(64-77)(65-70)(65-76)(66-71)(66-78)(67-69)(67-75)(68-79)(69-77)(70-81)(71-82)(72-79)(72-80)(73-76)(73-81)(74-78)(74-82)(76-83)(77-83)(78-83)(79-83)(82-83)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4.2 | — | 10.1016/j.ica.2011.10.072 | 2012 |
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.