Info
| ID | 5419 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Ir3 |
| SMILES | CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C40H37IrN4O3S/(1-71)(2-38)(3-57)(4-69)(5-46)(6-52)(7-58)(8-54)(9-70)(10-38)(11-38)(12-51)(13-61)(14-59)(15-47)(16-39)(17-39)(18-48)(19-39)(20-40)(21-40)(22-40)(23-49)(24-72)(25-60)(26-44)(27-56)(28-67)(29-41)(30-41)(31-55)(32-62)(33-53)(34-45)(35-50)(36-41)(37-68)(38-67)(39-67)(40-68)(41-68)(42-45)(42-63)(43-50)(43-66)(44-45)(44-51)(46-52)(46-69)(47-64)(47-77)(48-65)(48-77)(49-55)(49-62)(50-56)(51-54)(52-57)(53-58)(53-60)(54-63)(55-76)(56-61)(57-73)(58-74)(59-61)(59-66)(60-70)(62-72)(63-73)(64-67)(64-75)(65-68)(65-75)(66-74)(69-78)(70-79)(71-76)(71-80)(72-81)(73-78)(74-79)(75-80)(76-81)(77-85)(78-86)(79-86)(80-86)(81-86)(82-85)(83-85)(84-85)(85-86)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 21 | — | 10.1016/j.dyepig.2020.108220 | 2020 |
| A549 | 40 | — | 10.1016/j.dyepig.2020.108220 | 2020 |
| BEAS-2B | 50 | — | 10.1016/j.dyepig.2020.108220 | 2020 |
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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