Info
| ID | 4945 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir5 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C33H29IrN2/(1-38)(2-30)(3-45)(4-30)(5-30)(6-46)(7-43)(8-44)(9-41)(10-40)(11-39)(12-33)(13-42)(14-36)(15-59)(16-35)(17-60)(18-34)(19-47)(20-48)(21-37)(22-31)(23-33)(24-31)(25-31)(26-32)(27-32)(28-32)(29-33)(30-50)(31-51)(32-52)(33-55)(34-35)(34-59)(35-49)(36-37)(36-49)(37-58)(38-45)(38-53)(39-46)(39-53)(40-43)(40-56)(41-43)(41-44)(42-44)(42-56)(45-57)(46-57)(47-48)(47-58)(48-60)(49-61)(50-51)(50-54)(51-52)(52-55)(53-54)(54-55)(56-57)(58-62)(59-63)(60-64)(61-62)(61-63)(62-64)(63-65)(64-65)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.72 | — | 10.1021/jm2000932 | 2011 |
| A549 | 11 | — | 10.1002/cbic.202000511 | 2020 |
| BEAS-2B | 21 | — | 10.1002/cbic.202000511 | 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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