Info
| ID | 4882 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C48H31F3IrN6/(1-68)(2-36)(3-37)(4-57)(5-47)(6-43)(7-55)(8-38)(9-40)(10-52)(11-34)(12-71)(13-51)(14-42)(15-53)(16-58)(17-56)(18-50)(19-46)(20-59)(21-41)(22-69)(23-44)(24-54)(25-45)(26-49)(27-48)(28-35)(29-70)(30-39)(31-81)(32-43)(32-60)(33-53)(33-66)(34-41)(34-60)(35-41)(35-43)(36-37)(36-68)(37-40)(38-52)(38-57)(39-44)(39-53)(40-74)(42-44)(42-66)(45-47)(45-64)(46-49)(46-70)(47-61)(48-50)(48-64)(49-62)(50-61)(51-56)(51-67)(52-75)(54-59)(54-67)(55-58)(55-63)(56-65)(57-71)(58-69)(59-65)(60-74)(61-78)(62-72)(62-73)(63-76)(63-77)(64-65)(66-75)(67-79)(68-82)(69-80)(70-84)(71-83)(72-76)(72-84)(73-77)(73-85)(74-82)(75-83)(76-80)(77-81)(78-81)(78-85)(79-86)(79-87)(79-88)(82-89)(83-89)(84-89)(85-89)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| BEL-7402 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| B16 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| HeLa | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| LO2 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
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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