Info
| ID | 5721 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 6 |
| SMILES | [Cl-].c1ccc(-c2ccc(-[c-]3cccc3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C41H29IrN2/(1-52)(2-44)(3-31)(4-32)(5-33)(6-38)(7-37)(8-41)(9-51)(10-30)(11-35)(12-46)(13-43)(14-67)(15-48)(16-45)(17-34)(18-68)(19-50)(20-49)(21-47)(22-54)(23-53)(24-56)(25-39)(26-42)(27-40)(28-55)(29-36)(30-34)(30-59)(31-33)(31-57)(32-58)(32-67)(33-44)(34-60)(35-43)(35-57)(36-52)(36-54)(37-39)(37-65)(38-41)(38-61)(39-42)(40-42)(40-65)(41-66)(43-44)(45-46)(45-48)(46-64)(47-63)(47-68)(48-50)(49-50)(49-64)(51-52)(51-62)(53-55)(53-66)(54-56)(55-61)(56-62)(57-58)(58-59)(59-69)(60-63)(60-70)(61-62)(63-64)(65-66)(67-71)(68-72)(69-70)(69-71)(70-72)(71-73)(72-73)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.02 | — | 10.1021/acs.jmedchem.3c00704 | 2023 |
| HeLa | 0.15 | — | 10.1021/acs.jmedchem.3c00704 | 2023 |
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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