Info
| ID | 5323 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1cc2cccnc2c2ncccc12 |
TUCAN
C36H29IrN5/(1-30)(2-37)(3-58)(4-40)(5-30)(6-39)(7-46)(8-30)(9-57)(10-60)(11-44)(12-31)(13-59)(14-50)(15-35)(16-34)(17-42)(18-48)(19-36)(20-41)(21-49)(22-43)(23-47)(24-31)(25-38)(26-45)(27-31)(28-66)(29-66)(30-52)(31-53)(32-44)(32-51)(33-50)(33-56)(34-40)(34-43)(35-41)(35-60)(36-55)(36-62)(37-42)(37-51)(38-45)(38-46)(39-47)(39-56)(40-61)(41-55)(42-52)(43-57)(44-52)(45-59)(46-65)(47-53)(48-49)(48-58)(49-54)(50-53)(51-61)(54-62)(54-64)(55-63)(56-65)(57-68)(58-69)(59-70)(60-67)(61-68)(62-66)(63-64)(63-67)(64-69)(65-70)(67-71)(68-71)(69-71)(70-71)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2058 | 1.2 | — | 10.1038/srep14544 | 2015 |
| A375 | 1.6 | — | 10.1038/srep14544 | 2015 |
| HeLa | 1.7 | — | 10.1038/srep14544 | 2015 |
| SK-OV-3 | 1.8 | — | 10.1038/srep14544 | 2015 |
| A2780 | 7.2 | — | 10.1038/srep14544 | 2015 |
| HepG2 | 17 | — | 10.1038/srep14544 | 2015 |
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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