Info
| ID | 5388 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 3, "O": 1} |
| Abbreviation | 3a |
| SMILES | COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.Cc1cc[n+](Cc2ccnc(C(=O)[O-])c2)cc1 |
TUCAN
C47H36IrN4O6/(1-44)(2-37)(3-48)(4-41)(5-73)(6-40)(7-79)(8-54)(9-80)(10-70)(11-37)(12-72)(13-51)(14-42)(15-71)(16-50)(17-60)(18-61)(19-80)(20-80)(21-43)(22-79)(23-37)(24-52)(25-49)(26-59)(27-58)(28-73)(29-53)(30-79)(31-55)(32-47)(33-57)(34-45)(35-56)(36-46)(37-65)(38-50)(38-63)(39-56)(39-66)(40-50)(40-51)(41-51)(41-63)(42-52)(42-64)(43-52)(43-53)(44-65)(44-70)(45-55)(45-66)(46-55)(46-56)(47-57)(47-61)(48-68)(48-74)(49-67)(49-75)(53-76)(54-62)(54-77)(57-78)(58-68)(58-72)(59-65)(59-71)(60-61)(60-69)(62-69)(62-83)(63-75)(64-67)(64-76)(66-77)(67-81)(68-73)(69-78)(70-84)(71-84)(72-85)(73-84)(74-82)(74-85)(75-86)(76-86)(77-87)(78-87)(79-92)(80-93)(81-89)(81-92)(82-88)(82-91)(83-90)(83-93)(85-94)(86-94)(87-94)(93-94)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 8 | 3.4 | 10.1039/D1CC04982H | 2021 |
| U-87 MG | 16 | 3 | 10.1039/D1CC04982H | 2021 |
| HepG2 | 20 | 2.9 | 10.1039/D1CC04982H | 2021 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.