Info
| ID | 5610 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-2 |
| SMILES | [c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1 |
TUCAN
C38H25IrN5S2/(1-51)(2-36)(3-40)(4-32)(5-37)(6-52)(7-33)(8-35)(9-28)(10-41)(11-42)(12-29)(13-44)(14-31)(15-39)(16-34)(17-38)(18-60)(19-30)(20-50)(21-46)(22-43)(23-61)(24-45)(25-64)(26-30)(26-63)(27-43)(27-62)(28-47)(28-51)(29-34)(29-37)(30-60)(31-42)(31-56)(32-42)(32-50)(33-40)(33-54)(34-38)(35-39)(35-48)(36-41)(36-48)(37-49)(38-59)(39-58)(40-41)(43-61)(44-45)(44-52)(45-46)(46-55)(47-49)(47-53)(48-54)(49-59)(50-66)(51-68)(52-65)(53-57)(53-64)(54-67)(55-62)(55-65)(56-63)(56-66)(57-58)(57-68)(58-67)(59-64)(60-69)(61-70)(62-70)(63-69)(65-71)(66-71)(67-71)(68-71)(70-71)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.81 | — | 10.1039/C4CC01461H | 2014 |
| A549cisR | 0.86 | — | 10.1039/C4CC01461H | 2014 |
| A549 | 1.5 | — | 10.1039/C4CC01461H | 2014 |
| HepG2 | 1.7 | — | 10.1039/C4CC01461H | 2014 |
| LO2 | 7.6 | — | 10.1039/C4CC01461H | 2014 |
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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