Info
| ID | 5096 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H32IrN9/(1-41)(2-36)(3-38)(4-62)(5-42)(6-37)(7-39)(8-47)(9-45)(10-35)(11-50)(12-49)(13-64)(14-54)(15-46)(16-44)(17-56)(18-40)(19-48)(20-51)(21-65)(22-55)(23-53)(24-43)(25-63)(26-52)(27-75)(28-75)(29-76)(30-78)(31-76)(32-79)(33-41)(33-57)(34-44)(34-61)(35-36)(35-39)(36-57)(37-38)(37-62)(38-42)(39-41)(40-47)(40-52)(42-68)(43-44)(43-46)(45-46)(45-61)(47-63)(48-50)(48-71)(49-51)(49-65)(50-60)(51-58)(52-70)(53-56)(53-71)(54-55)(54-59)(55-64)(56-60)(57-68)(58-67)(58-69)(59-66)(59-72)(60-73)(61-70)(62-80)(63-82)(64-77)(65-83)(66-69)(66-77)(67-72)(67-81)(68-80)(69-83)(70-82)(71-78)(72-79)(73-79)(73-81)(74-75)(74-76)(74-78)(80-84)(81-84)(82-84)(83-84)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 23 | 0.25 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| CNE-2 | 23 | 0.47 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| MCF-7 | 24 | 1.1 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| A549cisR | 26 | 0.33 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HeLa | 36 | 0.31 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HepG2 | 59 | 0.45 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| LO2 | 61 | 1.5 | 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.