Info
| ID | 5006 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 3 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C46H32IrN4/(1-44)(2-60)(3-46)(4-43)(5-36)(6-47)(7-71)(8-73)(9-45)(10-37)(11-38)(12-39)(13-53)(14-48)(15-72)(16-35)(17-41)(18-58)(19-74)(20-49)(21-52)(22-50)(23-42)(24-51)(25-57)(26-55)(27-56)(28-54)(29-62)(30-61)(31-40)(32-59)(33-37)(33-69)(34-58)(34-70)(35-63)(35-71)(36-43)(36-48)(37-44)(38-44)(38-60)(39-46)(39-75)(40-45)(40-61)(41-46)(41-73)(42-64)(42-72)(43-49)(45-58)(47-55)(47-65)(48-50)(49-66)(50-66)(51-52)(51-67)(52-53)(53-54)(54-56)(55-68)(56-67)(57-62)(57-74)(59-62)(59-78)(60-69)(61-70)(63-65)(63-66)(64-67)(64-68)(65-76)(68-77)(69-75)(70-78)(71-79)(72-81)(73-80)(74-82)(75-80)(76-77)(76-79)(77-81)(78-82)(79-83)(80-83)(81-83)(82-83)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2 | — | 10.1021/jm4001665 | 2013 |
| MCF-7 | 3.2 | — | 10.1021/jm4001665 | 2013 |
| HeLa | 3.3 | — | 10.1021/jm4001665 | 2013 |
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.