Info
| ID | 5050 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C38H28IrN9S2/(1-32)(2-37)(3-41)(4-31)(5-34)(6-46)(7-42)(8-43)(9-33)(10-45)(11-39)(12-63)(13-50)(14-51)(15-40)(16-38)(17-53)(18-36)(19-35)(20-44)(21-52)(22-64)(23-67)(24-67)(25-68)(26-68)(27-70)(28-71)(29-32)(29-65)(30-43)(30-66)(31-33)(31-35)(32-63)(33-54)(34-36)(34-44)(35-50)(36-58)(37-42)(37-47)(38-39)(38-56)(39-46)(40-49)(40-56)(41-45)(41-48)(42-53)(43-64)(44-51)(45-52)(46-49)(47-55)(47-60)(48-57)(48-59)(49-61)(50-72)(51-73)(52-75)(53-69)(54-65)(54-72)(55-59)(55-70)(56-71)(57-60)(57-75)(58-66)(58-73)(59-74)(60-69)(61-70)(61-74)(62-67)(62-68)(62-71)(63-76)(64-77)(65-76)(66-77)(72-78)(73-78)(74-78)(75-78)(76-78)(77-78)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 23 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| A549 | 33 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| HeLa | 36 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| MCF-7 | 40 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| CNE-2 | 47 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| HepG2 | 63 | — | 10.1016/j.ejmech.2017.06.038 | 2017 |
| LO2 | 64 | — | 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.