Info
| ID | 5361 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 5a |
| SMILES | CC(C)COC(=O)c1ccnc(-c2cc(C(=O)OCC(C)C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H40IrN4O4/(1-41)(2-71)(3-41)(4-74)(5-51)(6-52)(7-61)(8-56)(9-50)(10-58)(11-47)(12-48)(13-41)(14-69)(15-49)(16-53)(17-42)(18-79)(19-79)(20-54)(21-42)(22-55)(23-72)(24-42)(25-80)(26-70)(27-43)(28-64)(29-60)(30-62)(31-63)(32-43)(33-80)(34-43)(35-44)(36-73)(37-57)(38-59)(39-44)(40-44)(41-69)(42-69)(43-70)(44-70)(45-56)(45-66)(46-59)(46-67)(47-51)(47-71)(48-52)(48-74)(49-53)(49-61)(50-51)(50-75)(52-58)(53-56)(54-65)(54-72)(55-65)(55-76)(57-62)(57-63)(58-77)(59-63)(60-68)(60-78)(61-66)(62-67)(64-68)(64-73)(65-81)(66-75)(67-77)(68-82)(69-79)(70-80)(71-83)(72-84)(73-85)(74-86)(75-83)(76-78)(76-84)(77-86)(78-85)(79-89)(80-90)(81-87)(81-89)(82-88)(82-90)(83-91)(84-91)(85-91)(86-91)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.9 | — | 10.1038/srep38954 | 2016 |
| HeLa | 2.2 | — | 10.1038/srep38954 | 2016 |
| A549cisR | 2.2 | — | 10.1038/srep38954 | 2016 |
| MCF-7 | 3.4 | — | 10.1038/srep38954 | 2016 |
| HepG2 | 4.8 | — | 10.1038/srep38954 | 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.