Info
| ID | 4992 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 9 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(-c2ccccn2)nc1 |
TUCAN
C31H29IrN2/(1-38)(2-30)(3-43)(4-34)(5-30)(6-30)(7-42)(8-48)(9-40)(10-39)(11-33)(12-35)(13-41)(14-31)(15-31)(16-44)(17-37)(18-36)(19-47)(20-45)(21-57)(22-58)(23-46)(24-31)(25-32)(26-32)(27-32)(28-33)(29-33)(30-49)(31-50)(32-51)(33-54)(34-35)(34-45)(35-57)(36-37)(36-46)(37-58)(38-43)(38-52)(39-44)(39-52)(40-42)(40-48)(41-42)(41-55)(43-56)(44-56)(45-59)(46-60)(47-48)(47-55)(49-50)(49-53)(50-51)(51-54)(52-53)(53-54)(55-56)(57-61)(58-62)(59-60)(59-61)(60-62)(61-63)(62-63)
Measurements (11)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.57 | — | 10.1021/jm2000932 | 2011 |
| A549 | 11 | — | 10.1039/C8CC01326H | 2018 |
| A549 | 12 | — | 10.1039/C8CC01326H | 2018 |
| A549 | 12 | — | 10.1039/C8CC01326H | 2018 |
| A549 | 14 | — | 10.1039/c8nj03360a | 2018 |
| BEAS-2B | 14 | — | 10.1039/c8nj03360a | 2018 |
| A549 | 15 | — | 10.1039/C8CC01326H | 2018 |
| A549 | 16 | — | 10.1039/C8CC01326H | 2018 |
| 16HBE | 17 | — | 10.1039/c8nj03360a | 2018 |
| A549 | — | — | 10.1039/C8CC01326H | 2018 |
| A549 | — | — | 10.1039/C8CC01326H | 2018 |
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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