Info
| ID | 4875 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | [2a]Cl |
| SMILES | O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C40H30IrN6OS/(1-33)(2-40)(3-58)(4-35)(5-36)(6-49)(7-41)(8-34)(9-42)(10-43)(11-69)(12-60)(13-70)(14-48)(15-52)(16-54)(17-44)(18-47)(19-51)(20-37)(21-50)(22-60)(23-46)(24-53)(25-55)(26-45)(27-38)(28-59)(29-39)(30-71)(31-34)(31-56)(32-42)(32-57)(33-35)(33-58)(34-40)(35-36)(36-61)(37-38)(37-56)(38-40)(39-41)(39-50)(41-42)(43-44)(43-47)(44-62)(45-49)(45-51)(46-52)(46-54)(47-53)(48-52)(48-66)(49-63)(50-57)(51-59)(53-55)(54-64)(55-62)(56-61)(57-63)(58-73)(59-74)(60-68)(60-72)(61-73)(62-71)(63-74)(64-66)(64-72)(65-67)(65-69)(65-76)(66-75)(67-72)(67-75)(68-71)(68-77)(69-78)(70-76)(70-78)(73-79)(74-79)(75-79)(76-79)(78-79)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 11 | 2.4 | 10.1016/j.jinorgbio.2022.11179... | 2022 |
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.