Info
| ID | 5585 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | Cn1ccnc1-c1nccn1C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C30H26IrN6/(1-32)(2-49)(3-33)(4-38)(5-30)(6-29)(7-45)(8-48)(9-47)(10-45)(11-45)(12-52)(13-51)(14-46)(15-41)(16-50)(17-35)(18-31)(19-42)(20-46)(21-34)(22-37)(23-40)(24-36)(25-39)(26-46)(27-38)(27-43)(28-40)(28-44)(29-32)(29-33)(30-31)(30-49)(31-36)(32-43)(33-38)(34-35)(34-41)(35-40)(36-53)(37-42)(37-50)(39-42)(39-54)(41-44)(43-53)(44-54)(45-57)(46-58)(47-48)(47-61)(48-57)(49-59)(50-60)(51-52)(51-58)(52-62)(53-59)(54-60)(55-56)(55-57)(55-61)(56-58)(56-62)(59-63)(60-63)(61-63)(62-63)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 14 | — | 10.1021/acsami.7b01735 | 2017 |
| A549 | 14 | — | 10.1021/acsami.7b01735 | 2017 |
| HeLa | 17 | — | 10.1021/acsami.7b01735 | 2017 |
| LO2 | 29 | — | 10.1021/acsami.7b01735 | 2017 |
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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