Info
| ID | 5357 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | 1a |
| SMILES | O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C34H23IrN4O4/(1-27)(2-34)(3-29)(4-32)(5-40)(6-28)(7-48)(8-38)(9-26)(10-35)(11-37)(12-43)(13-30)(14-51)(15-39)(16-41)(17-49)(18-50)(19-33)(20-36)(21-31)(22-42)(23-65)(24-29)(24-44)(25-31)(25-45)(26-32)(26-44)(27-28)(27-34)(28-48)(29-38)(30-46)(30-52)(31-41)(32-38)(33-40)(33-51)(34-53)(35-40)(35-54)(36-39)(36-41)(37-47)(37-55)(39-45)(42-46)(42-49)(43-47)(43-50)(44-53)(45-54)(46-56)(47-57)(48-58)(49-61)(50-59)(51-60)(52-55)(52-61)(53-58)(54-60)(55-59)(56-63)(56-64)(57-62)(57-65)(58-66)(59-66)(60-66)(61-66)(65-66)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1038/srep38954 | 2016 |
| A549 | — | — | 10.1038/srep38954 | 2016 |
| A549cisR | — | — | 10.1038/srep38954 | 2016 |
| HepG2 | — | — | 10.1038/srep38954 | 2016 |
| MCF-7 | — | — | 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.