Info
| ID | 5488 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 10 |
| SMILES | COc1ccc([N-]C(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-] |
TUCAN
C43H37Cl2IrN3O2/(1-43)(2-39)(3-46)(4-39)(5-47)(6-56)(7-54)(8-39)(9-55)(10-42)(11-38)(12-38)(13-45)(14-41)(15-44)(16-41)(17-41)(18-53)(19-38)(20-61)(21-72)(22-72)(23-76)(24-48)(25-58)(26-76)(27-76)(28-60)(29-51)(30-40)(31-59)(32-40)(33-57)(34-49)(35-50)(36-40)(37-52)(38-69)(39-66)(40-70)(41-68)(42-44)(42-47)(43-46)(43-63)(44-45)(45-56)(46-64)(47-62)(48-53)(48-73)(49-50)(49-52)(50-65)(51-61)(51-79)(52-59)(53-77)(54-55)(54-63)(55-64)(56-62)(57-58)(57-73)(58-77)(59-74)(60-79)(60-80)(61-71)(62-64)(63-67)(65-74)(65-75)(66-67)(66-69)(67-68)(68-70)(69-70)(71-72)(71-80)(72-81)(73-82)(74-81)(75-78)(75-83)(76-85)(77-85)(78-82)(78-84)(79-87)(80-86)(81-83)(82-88)(83-88)(85-88)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 5.8 | — | 10.1002/aoc.5589 | 2020 |
| A549 | 9.3 | — | 10.1002/aoc.5589 | 2020 |
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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