Info
| ID | 5758 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir1 |
| SMILES | CN(C)C(=N)NC(=N)N.[c-]1c(-c2ccc3ccccc3n2)sc2ccccc12.[c-]1c(-c2ccc3ccccc3n2)sc2ccccc12 |
TUCAN
C38H31IrN7S2/(1-42)(2-34)(3-43)(4-35)(5-38)(6-39)(7-41)(8-48)(9-45)(10-36)(11-50)(12-49)(13-52)(14-58)(15-58)(16-58)(17-40)(18-53)(19-47)(20-37)(21-51)(22-46)(23-44)(24-59)(25-59)(26-59)(27-73)(28-74)(29-70)(30-71)(31-70)(32-56)(32-66)(33-57)(33-68)(34-35)(34-61)(35-42)(36-37)(36-51)(37-67)(38-39)(38-54)(39-60)(40-41)(40-48)(41-62)(42-43)(43-54)(44-52)(44-69)(45-47)(45-56)(46-49)(46-63)(47-52)(48-53)(49-55)(50-51)(50-57)(53-55)(54-61)(55-62)(56-69)(57-67)(58-72)(59-72)(60-66)(60-75)(61-75)(62-76)(63-68)(63-76)(64-71)(64-72)(64-74)(65-70)(65-71)(65-73)(66-78)(67-77)(68-77)(69-78)(73-79)(74-79)(75-79)(76-79)(77-79)(78-79)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.7 | — | 10.1016/j.jinorgbio.2022.11199... | 2022 |
| A549 | 3.1 | — | 10.1016/j.jinorgbio.2022.11199... | 2022 |
| HLF | 3.4 | — | 10.1016/j.jinorgbio.2022.11199... | 2022 |
| MDA-MB-231 | 5.7 | — | 10.1016/j.jinorgbio.2022.11199... | 2022 |
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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.