Info
| ID | 5047 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C46H32IrN9/(1-46)(2-35)(3-68)(4-66)(5-67)(6-39)(7-48)(8-49)(9-50)(10-38)(11-51)(12-44)(13-69)(14-43)(15-54)(16-41)(17-47)(18-53)(19-36)(20-55)(21-56)(22-42)(23-45)(24-52)(25-40)(26-37)(27-79)(28-79)(29-80)(30-83)(31-80)(32-82)(33-46)(33-57)(34-54)(34-63)(35-36)(35-58)(36-59)(37-40)(37-60)(38-49)(38-58)(39-50)(39-66)(40-64)(41-61)(41-72)(42-44)(42-69)(43-45)(43-65)(44-62)(45-68)(46-49)(47-52)(47-60)(48-53)(48-67)(50-59)(51-55)(51-56)(52-54)(53-64)(55-72)(56-61)(57-58)(57-70)(59-70)(60-63)(61-77)(62-75)(62-76)(63-71)(64-71)(65-73)(65-74)(66-84)(67-85)(68-81)(69-86)(70-84)(71-85)(72-83)(73-76)(73-81)(74-75)(74-82)(75-87)(76-86)(77-82)(77-87)(78-79)(78-80)(78-83)(84-88)(85-88)(86-88)(87-88)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 9 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| MCF-7 | 13 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| A549cisR | 14 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| A549 | 14 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| CNE-2 | 20 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| HepG2 | 20 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| LO2 | 42 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
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.