Info
| ID | 5697 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrA2 |
| SMILES | Cc1ccnc(-c2cc(C)ccn2)c1.[c-]1cc(-c2nc3ccccc3s2)ccc1-c1ccccn1.[c-]1cc(-c2nc3ccccc3s2)ccc1-c1ccccn1 |
TUCAN
C48H34IrN6S2/(1-40)(2-51)(3-44)(4-59)(5-35)(6-35)(7-46)(8-41)(9-70)(10-45)(11-71)(12-53)(13-49)(14-52)(15-39)(16-50)(17-54)(18-47)(19-35)(20-62)(21-55)(22-48)(23-42)(24-56)(25-58)(26-61)(27-60)(28-43)(29-57)(30-69)(31-36)(32-36)(33-36)(34-72)(35-63)(36-68)(37-45)(37-66)(38-49)(38-65)(39-43)(39-79)(40-44)(40-66)(41-42)(41-56)(42-75)(43-46)(44-64)(45-64)(46-48)(47-63)(47-69)(48-73)(49-67)(50-57)(50-80)(51-59)(51-65)(52-58)(52-60)(53-57)(53-61)(54-63)(54-74)(55-68)(55-78)(56-70)(58-71)(59-67)(60-76)(61-77)(62-68)(62-72)(64-81)(65-75)(66-76)(67-82)(69-84)(70-85)(71-86)(72-87)(73-79)(73-83)(74-78)(74-84)(75-85)(76-86)(77-80)(77-88)(78-87)(79-89)(80-90)(81-83)(81-89)(82-88)(82-90)(83-91)(84-91)(85-91)(86-91)(87-91)(88-91)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 24 | 0.79 | 10.1021/acs.jmedchem.3c01875 | 2023 |
| MCF-7 | 37 | 2.8 | 10.1021/acs.jmedchem.3c01875 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.