Info
| ID | 5084 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 5 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-] |
TUCAN
C33H33IrN2/(1-46)(2-34)(3-34)(4-45)(5-41)(6-42)(7-40)(8-34)(9-35)(10-35)(11-35)(12-63)(13-43)(14-38)(15-38)(16-38)(17-39)(18-39)(19-39)(20-44)(21-36)(22-51)(23-52)(24-36)(25-50)(26-36)(27-64)(28-37)(29-49)(30-37)(31-37)(32-48)(33-47)(34-53)(35-58)(36-59)(37-60)(38-61)(39-62)(40-53)(40-65)(41-53)(41-63)(42-43)(42-55)(43-56)(44-45)(44-50)(45-46)(46-54)(47-48)(47-56)(48-55)(49-50)(49-54)(51-59)(51-66)(52-59)(52-64)(54-55)(56-57)(57-58)(57-60)(58-61)(60-62)(61-62)(63-67)(64-68)(65-66)(65-67)(66-68)(67-69)(68-69)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 10 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| HepG2 | 13 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| HeLa | 18 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| HeLa | 18 | — | 10.1039/c9dt00999j | 2019 |
| A549 | 19 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| A549 | 19 | — | 10.1039/c9dt00999j | 2019 |
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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