Info
| ID | 5404 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[nH]2)nc1 |
TUCAN
C34H25IrN5/(1-31)(2-51)(3-38)(4-35)(5-39)(6-43)(7-33)(8-32)(9-36)(10-41)(11-29)(12-28)(13-34)(14-42)(15-44)(16-45)(17-52)(18-30)(19-48)(20-40)(21-37)(22-47)(23-53)(24-46)(25-60)(26-31)(26-49)(27-43)(27-50)(28-33)(28-35)(29-37)(29-39)(30-38)(30-44)(31-34)(32-34)(32-41)(33-51)(35-54)(36-42)(36-53)(37-45)(38-52)(39-55)(40-43)(40-48)(41-49)(42-46)(44-57)(45-56)(46-58)(47-48)(47-50)(49-54)(50-58)(51-62)(52-64)(53-63)(54-62)(55-56)(55-60)(56-61)(57-59)(57-64)(58-63)(59-60)(59-61)(61-65)(62-65)(63-65)(64-65)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 6 | 1.4 | 10.1021/acsami.7b10258 | 2017 |
| A549 | 7.6 | 0.95 | 10.1021/acsami.7b10258 | 2017 |
| HeLa | 12 | 1.4 | 10.1021/acsami.7b10258 | 2017 |
| CHO | — | — | 10.1039/C0CC03705B | 2010 |
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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