Info
| ID | 5508 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H30IrN6O2/(1-34)(2-57)(3-33)(4-38)(5-58)(6-35)(7-40)(8-37)(9-36)(10-39)(11-70)(12-47)(13-70)(14-70)(15-69)(16-69)(17-51)(18-59)(19-41)(20-52)(21-46)(22-45)(23-50)(24-69)(25-43)(26-60)(27-44)(28-42)(29-49)(30-48)(31-40)(31-53)(32-44)(32-56)(33-34)(33-35)(34-57)(35-61)(36-38)(36-39)(37-49)(37-65)(38-53)(39-40)(41-44)(41-48)(42-52)(42-59)(43-51)(43-54)(45-48)(45-56)(46-49)(46-58)(47-50)(47-72)(50-71)(51-60)(52-55)(53-61)(54-64)(54-68)(55-63)(55-66)(56-65)(57-75)(58-76)(59-74)(60-77)(61-75)(62-67)(62-72)(62-73)(63-64)(63-73)(64-78)(65-76)(66-68)(66-74)(67-71)(67-78)(68-77)(69-80)(70-79)(71-80)(72-79)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.2 | — | 10.1039/c9nj01001g | 2019 |
| SGC-7901 | 4.1 | — | 10.1039/c9nj01001g | 2019 |
| HepG2 | 7.1 | — | 10.1039/c9nj01001g | 2019 |
| BEL-7402 | 7.6 | — | 10.1039/c9nj01001g | 2019 |
| LO2 | 9.9 | — | 10.1039/c9nj01001g | 2019 |
| EC109 | 12 | — | 10.1039/c9nj01001g | 2019 |
| HeLa | 44 | — | 10.1039/c9nj01001g | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.