Info
| ID | 5480 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 2 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccc(Cl)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-] |
TUCAN
C31H28Cl3IrN3O/(1-29)(2-29)(3-29)(4-30)(5-30)(6-34)(7-37)(8-38)(9-35)(10-42)(11-44)(12-43)(13-36)(14-41)(15-52)(16-40)(17-52)(18-39)(19-30)(20-31)(21-31)(22-31)(23-32)(24-32)(25-32)(26-33)(27-33)(28-33)(29-45)(30-46)(31-47)(32-48)(33-49)(34-44)(34-53)(35-37)(35-54)(36-57)(36-59)(37-58)(38-41)(38-59)(39-40)(39-51)(40-44)(41-50)(42-43)(42-54)(43-58)(45-46)(45-47)(46-48)(47-49)(48-49)(50-52)(50-57)(51-53)(51-55)(52-60)(53-60)(54-61)(55-56)(55-62)(56-61)(56-63)(57-65)(58-64)(59-66)(60-62)(61-67)(62-67)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 12 | — | 10.1002/aoc.5589 | 2020 |
| HeLa | 14 | — | 10.1002/aoc.5589 | 2020 |
| BEAS-2B | 18 | — | 10.1002/aoc.5589 | 2020 |
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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