Info
| ID | 5040 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir5 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1 |
TUCAN
C44H24F4IrN6/(1-42)(2-28)(3-36)(4-31)(5-37)(6-27)(7-32)(8-40)(9-41)(10-54)(11-35)(12-39)(13-43)(14-38)(15-44)(16-55)(17-56)(18-45)(19-53)(20-30)(21-29)(22-33)(23-46)(24-34)(25-29)(25-49)(26-34)(26-52)(27-43)(27-48)(28-65)(28-66)(29-65)(30-37)(30-47)(31-39)(31-53)(32-36)(32-54)(33-47)(33-60)(34-67)(35-36)(35-57)(37-43)(38-48)(38-63)(39-51)(40-67)(40-68)(41-42)(41-56)(42-50)(44-45)(44-46)(45-55)(46-64)(47-48)(49-57)(49-66)(50-58)(50-59)(51-61)(51-62)(52-64)(52-68)(53-72)(54-71)(55-74)(56-70)(57-71)(58-62)(58-69)(59-61)(59-70)(60-63)(60-73)(61-72)(62-73)(63-69)(64-74)(65-77)(66-75)(67-78)(68-76)(71-79)(72-79)(73-79)(74-79)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.33 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| HeLa | 0.43 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| A549cisR | 0.71 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| PC-3 | 1 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| HepG2 | 2.2 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| HLF | 7.2 | — | 10.1021/acs.jmedchem.8b01704 | 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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