Info
| ID | 5060 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3 |
| SMILES | Cc1c(C)c(Cc2ccccn2)[c-](C)c1C.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C30H28IrN2/(1-29)(2-44)(3-30)(4-41)(5-35)(6-55)(7-37)(8-29)(9-29)(10-39)(11-40)(12-46)(13-30)(14-31)(15-38)(16-30)(17-32)(18-45)(19-43)(20-34)(21-42)(22-36)(23-31)(24-56)(25-46)(26-32)(27-32)(28-31)(29-50)(30-51)(31-53)(32-54)(33-44)(33-52)(34-37)(34-48)(35-43)(35-47)(36-45)(36-52)(37-43)(38-39)(38-56)(39-40)(40-57)(41-44)(41-45)(42-47)(42-55)(46-49)(46-57)(47-48)(48-58)(49-50)(49-53)(50-51)(51-54)(52-58)(53-54)(55-60)(56-59)(57-59)(58-60)(59-61)(60-61)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 0.05 | — | 10.1021/acs.jmedchem.9b02000 | 2020 |
| MRC-5 | 1.9 | — | 10.1021/acs.jmedchem.9b02000 | 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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