Info
| ID | 5872 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 5a |
| SMILES | CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCC)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C45H36IrN6O2/(1-56)(2-50)(3-43)(4-41)(5-47)(6-45)(7-46)(8-58)(9-42)(10-44)(11-67)(12-59)(13-78)(14-37)(15-37)(16-52)(17-53)(18-78)(19-69)(20-60)(21-79)(22-38)(23-49)(24-38)(25-68)(26-54)(27-37)(28-70)(29-51)(30-79)(31-61)(32-48)(33-38)(34-55)(35-57)(36-83)(37-78)(38-79)(39-46)(39-62)(40-48)(40-64)(41-43)(41-50)(42-44)(42-47)(43-71)(44-46)(45-58)(45-74)(47-62)(48-49)(49-57)(50-67)(51-60)(51-69)(52-53)(52-65)(53-80)(54-57)(54-64)(55-58)(55-68)(56-59)(56-66)(59-70)(60-63)(61-80)(61-81)(62-71)(63-72)(63-73)(64-74)(65-77)(65-81)(66-75)(66-76)(67-84)(68-85)(69-82)(70-87)(71-84)(72-75)(72-83)(73-76)(73-82)(74-85)(75-86)(76-87)(77-83)(77-86)(78-88)(79-89)(80-88)(81-89)(84-90)(85-90)(86-90)(87-90)(88-90)(89-90)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2024.11270... | 2024 |
| A549 | — | — | 10.1016/j.jinorgbio.2024.11270... | 2024 |
| B16 | — | — | 10.1016/j.jinorgbio.2024.11270... | 2024 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2024.11270... | 2024 |
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.