Info
| ID | 5387 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 1} |
| Abbreviation | 2a |
| SMILES | COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.O=C([O-])c1cc(CO)ccn1 |
TUCAN
C41H30IrN3O7/(1-60)(2-68)(3-35)(4-36)(5-66)(6-38)(7-33)(8-34)(9-40)(10-49)(11-42)(12-45)(13-68)(14-44)(15-46)(16-66)(17-48)(18-43)(19-66)(20-39)(21-67)(22-67)(23-52)(24-37)(25-47)(26-50)(27-51)(28-41)(29-67)(30-79)(31-37)(31-53)(32-42)(32-54)(33-43)(33-58)(34-56)(34-61)(35-44)(35-47)(36-43)(36-46)(37-44)(38-48)(38-59)(39-57)(39-62)(40-49)(40-51)(41-48)(41-50)(42-49)(45-55)(45-60)(46-64)(47-53)(50-65)(51-54)(52-55)(52-63)(53-61)(54-62)(55-68)(56-58)(56-70)(57-59)(57-71)(58-64)(59-65)(60-74)(61-72)(62-73)(63-69)(63-74)(64-72)(65-73)(66-80)(67-81)(68-79)(69-75)(69-78)(70-76)(70-80)(71-77)(71-81)(72-82)(73-82)(74-82)(81-82)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 8.6 | 1.9 | 10.1039/D1CC04982H | 2021 |
| U-87 MG | 11 | 3.6 | 10.1039/D1CC04982H | 2021 |
| MCF-7 | 15 | 4.6 | 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.