Info
| ID | 5789 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir1 |
| SMILES | Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C46H33IrN4O2S/(1-44)(2-37)(3-38)(4-43)(5-40)(6-41)(7-39)(8-57)(9-72)(10-59)(11-50)(12-42)(13-47)(14-63)(15-34)(16-46)(17-45)(18-55)(19-49)(20-73)(21-58)(22-48)(23-52)(24-54)(25-53)(26-34)(27-56)(28-60)(29-51)(30-61)(31-74)(32-62)(33-34)(34-64)(35-42)(35-66)(36-48)(36-68)(37-39)(37-57)(38-43)(38-67)(39-42)(40-41)(40-43)(41-69)(44-54)(44-64)(45-47)(45-74)(46-62)(46-64)(47-65)(48-56)(49-56)(49-60)(50-69)(50-72)(51-58)(51-59)(52-59)(52-71)(53-63)(53-77)(54-79)(55-63)(55-65)(57-66)(58-70)(60-68)(61-71)(61-73)(62-79)(65-78)(66-75)(67-69)(67-75)(68-76)(70-71)(70-76)(72-80)(73-81)(74-82)(75-80)(76-81)(77-78)(77-83)(78-82)(79-86)(80-87)(81-87)(82-87)(83-86)(83-87)(84-86)(85-86)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | — | 4.3 | 10.1021/acsomega.3c03234 | 2023 |
| HeLa | — | 0.5 | 10.1021/acsomega.3c03234 | 2023 |
| A549 | — | 0.8 | 10.1021/acsomega.3c03234 | 2023 |
| A549cisR | — | 13 | 10.1021/acsomega.3c03234 | 2023 |
| LO2 | — | — | 10.1021/acsomega.3c03234 | 2023 |
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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