Info
| ID | 5093 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir(III)-1 |
| SMILES | CC(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc2c(c1)OCO2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C45H34IrN6O2/(1-59)(2-38)(3-52)(4-39)(5-56)(6-41)(7-46)(8-55)(9-40)(10-44)(11-79)(12-66)(13-47)(14-35)(15-59)(16-65)(17-35)(18-53)(19-68)(20-50)(21-54)(22-43)(23-48)(24-57)(25-35)(26-58)(27-69)(28-49)(29-79)(30-42)(31-51)(32-67)(33-45)(34-81)(35-65)(36-41)(36-60)(37-44)(37-61)(38-39)(38-46)(39-70)(40-41)(40-43)(42-44)(42-45)(43-55)(45-57)(46-66)(47-52)(47-67)(48-63)(48-77)(49-50)(49-68)(50-64)(51-54)(51-78)(52-56)(53-58)(53-69)(54-63)(55-60)(56-71)(57-61)(58-62)(59-65)(59-76)(60-70)(61-71)(62-72)(62-74)(63-65)(64-73)(64-75)(66-82)(67-83)(68-80)(69-85)(70-82)(71-83)(72-75)(72-85)(73-74)(73-81)(74-84)(75-80)(76-81)(76-84)(77-78)(77-86)(78-87)(79-86)(79-87)(82-88)(83-88)(84-88)(85-88)(86-88)(87-88)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 3.6 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| HeLa | 4.2 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| BEL-7402 | 4.5 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| HepG2 | 5.1 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| SGC-7901 | 7.6 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| LO2 | 7.9 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
| SiHa | 9.8 | — | 10.1016/j.ejmech.2017.11.091 | 2018 |
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.