Info
| ID | 5366 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 5b |
| SMILES | CC(C)COC(=O)c1ccnc(-c2cc(C(=O)OCC(C)C)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1 |
TUCAN
C42H36F4IrN4O4/(1-71)(2-71)(3-45)(4-47)(5-55)(6-43)(7-64)(8-46)(9-50)(10-63)(11-37)(12-52)(13-37)(14-56)(15-72)(16-37)(17-72)(18-38)(19-38)(20-38)(21-53)(22-39)(23-54)(24-51)(25-39)(26-39)(27-48)(28-61)(29-44)(30-62)(31-49)(32-66)(33-40)(34-40)(35-65)(36-40)(37-61)(38-61)(39-62)(40-62)(41-46)(41-58)(42-52)(42-59)(43-75)(43-76)(44-45)(44-53)(45-68)(46-76)(47-57)(47-63)(48-77)(48-78)(49-54)(49-55)(50-57)(50-67)(51-60)(51-70)(52-78)(53-64)(54-65)(55-69)(56-60)(56-66)(57-73)(58-68)(58-75)(59-69)(59-77)(60-74)(61-71)(62-72)(63-81)(64-79)(65-80)(66-82)(67-70)(67-81)(68-79)(69-80)(70-82)(71-85)(72-86)(73-83)(73-85)(74-84)(74-86)(75-88)(76-87)(77-90)(78-89)(79-91)(80-91)(81-91)(82-91)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.4 | — | 10.1038/srep38954 | 2016 |
| A549cisR | 2.7 | — | 10.1038/srep38954 | 2016 |
| HepG2 | 4.3 | — | 10.1038/srep38954 | 2016 |
| A549 | 5.8 | — | 10.1038/srep38954 | 2016 |
| MCF-7 | 8.4 | — | 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.