Info
| ID | 5347 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrT |
| SMILES | Oc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C41H28IrN6O/(1-58)(2-35)(3-41)(4-34)(5-61)(6-36)(7-31)(8-47)(9-45)(10-33)(11-50)(12-49)(13-42)(14-37)(15-60)(16-44)(17-52)(18-39)(19-48)(20-32)(21-43)(22-59)(23-51)(24-46)(25-40)(26-38)(27-71)(28-76)(29-35)(29-53)(30-40)(30-54)(31-35)(31-41)(32-36)(32-62)(33-41)(33-53)(34-36)(34-58)(37-43)(37-59)(38-45)(38-54)(39-46)(39-47)(40-48)(42-49)(42-50)(43-57)(44-51)(44-55)(45-48)(46-63)(47-61)(49-69)(50-56)(51-60)(52-56)(52-69)(53-62)(54-63)(55-66)(55-67)(56-68)(57-64)(57-65)(58-72)(59-74)(60-70)(61-73)(62-72)(63-73)(64-66)(64-75)(65-67)(65-74)(66-71)(67-70)(68-71)(68-75)(69-76)(72-77)(73-77)(74-77)(75-77)(76-77)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.7 | — | 10.1016/j.inoche.2018.06.011 | 2018 |
| MCF-7 | 2.8 | — | 10.1016/j.inoche.2018.06.011 | 2018 |
| HepG2 | 3.6 | — | 10.1016/j.inoche.2018.06.011 | 2018 |
| A549 | 5.2 | — | 10.1016/j.inoche.2018.06.011 | 2018 |
| A549cisR | 6.3 | — | 10.1016/j.inoche.2018.06.011 | 2018 |
| LO2 | 15 | — | 10.1016/j.inoche.2018.06.011 | 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.