Info
| ID | 5614 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C44H24Cl2IrN6/(1-55)(2-30)(3-57)(4-31)(5-33)(6-27)(7-36)(8-41)(9-38)(10-58)(11-45)(12-46)(13-40)(14-29)(15-35)(16-37)(17-43)(18-44)(19-56)(20-39)(21-42)(22-28)(23-34)(24-32)(25-33)(25-47)(26-42)(26-48)(27-30)(27-55)(28-36)(28-50)(29-31)(29-50)(30-49)(31-49)(32-35)(32-53)(33-36)(34-40)(34-52)(35-52)(37-41)(37-53)(38-44)(38-54)(39-45)(39-51)(40-42)(41-57)(43-64)(43-67)(44-58)(45-56)(46-61)(46-68)(47-50)(47-59)(48-52)(48-60)(49-59)(51-62)(51-63)(53-60)(54-65)(54-66)(55-71)(56-70)(57-72)(58-74)(59-71)(60-72)(61-64)(61-69)(62-66)(62-70)(63-65)(63-69)(64-73)(65-73)(66-74)(67-68)(67-76)(68-75)(71-77)(72-77)(73-77)(74-77)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 3 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| A549 | 5.3 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| SGC-7901 | 6.2 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| BEL-7402 | 9.3 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| NIH-3T3 | 9.5 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| HeLa | 9.9 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
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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