Info
| ID | 5365 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 4b |
| SMILES | CCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1 |
TUCAN
C42H36F4IrN4O4/(1-47)(2-45)(3-37)(4-52)(5-42)(6-63)(7-64)(8-44)(9-66)(10-37)(11-53)(12-50)(13-37)(14-38)(15-46)(16-71)(17-56)(18-71)(19-56)(20-55)(21-43)(22-72)(23-51)(24-54)(25-58)(26-55)(27-48)(28-57)(29-41)(30-72)(31-49)(32-38)(33-58)(34-57)(35-65)(36-38)(37-55)(38-57)(39-44)(39-59)(40-53)(40-62)(41-43)(41-45)(42-75)(42-76)(43-63)(44-75)(45-67)(46-60)(46-64)(47-60)(47-68)(48-77)(48-78)(49-51)(49-52)(50-61)(50-70)(51-65)(52-69)(53-77)(54-61)(54-66)(55-56)(56-71)(57-58)(58-72)(59-67)(59-76)(60-73)(61-74)(62-69)(62-78)(63-79)(64-80)(65-82)(66-81)(67-79)(68-70)(68-80)(69-82)(70-81)(71-85)(72-86)(73-83)(73-85)(74-84)(74-86)(75-88)(76-87)(77-89)(78-90)(79-91)(80-91)(81-91)(82-91)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 1.7 | — | 10.1038/srep38954 | 2016 |
| HeLa | 1.9 | — | 10.1038/srep38954 | 2016 |
| A549 | 2.3 | — | 10.1038/srep38954 | 2016 |
| HepG2 | 2.5 | — | 10.1038/srep38954 | 2016 |
| MCF-7 | 4.3 | — | 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.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.