Info
| ID | 5095 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2 |
| SMILES | Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 |
TUCAN
C44H36IrN9/(1-37)(2-68)(3-42)(4-43)(5-49)(6-71)(7-37)(8-37)(9-47)(10-38)(11-48)(12-54)(13-44)(14-56)(15-41)(16-53)(17-45)(18-52)(19-50)(20-51)(21-55)(22-69)(23-70)(24-59)(25-38)(26-60)(27-57)(28-38)(29-46)(30-58)(31-81)(32-85)(33-81)(34-84)(35-82)(36-82)(37-64)(38-65)(39-42)(39-61)(40-46)(40-66)(41-45)(41-69)(42-64)(43-47)(43-48)(44-49)(44-61)(45-67)(46-65)(47-68)(48-74)(49-64)(50-53)(50-77)(51-55)(51-77)(52-54)(52-70)(53-62)(54-63)(55-62)(56-57)(56-71)(57-59)(58-60)(58-65)(59-75)(60-66)(61-74)(62-79)(63-72)(63-73)(66-75)(67-76)(67-78)(68-87)(69-86)(70-83)(71-89)(72-76)(72-83)(73-78)(73-85)(74-87)(75-89)(76-86)(77-84)(78-88)(79-85)(79-88)(80-81)(80-82)(80-84)(86-90)(87-90)(88-90)(89-90)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 36 | 1.3 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| CNE-2 | 36 | 0.6 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| A549 | 37 | 0.49 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| A549cisR | 38 | 0.3 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HeLa | 49 | 0.46 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| LO2 | 52 | 1.6 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HepG2 | 58 | 1.1 | 10.1016/j.ejmech.2019.06.045 | 2019 |
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.