Info
| ID | 5042 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | O=C(O)CCCCCNC(=O)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C46H37IrN5O3S2/(1-55)(2-46)(3-81)(4-80)(5-52)(6-50)(7-42)(8-44)(9-56)(10-61)(11-62)(12-54)(13-62)(14-61)(15-53)(16-45)(17-51)(18-49)(19-60)(20-60)(21-63)(22-57)(23-71)(24-70)(25-72)(26-47)(27-40)(28-63)(29-58)(30-41)(31-43)(32-59)(33-72)(34-48)(35-85)(36-84)(37-91)(38-40)(38-82)(39-42)(39-83)(40-81)(41-46)(41-71)(42-80)(43-44)(43-70)(44-45)(45-73)(46-55)(47-48)(47-59)(48-52)(49-50)(49-64)(50-51)(51-56)(52-65)(53-54)(53-69)(54-66)(55-76)(56-68)(57-58)(57-66)(58-69)(59-67)(60-63)(60-79)(61-62)(61-72)(62-63)(64-65)(64-68)(65-67)(66-78)(67-74)(68-75)(69-77)(70-87)(71-86)(72-85)(73-82)(73-87)(74-75)(74-84)(75-88)(76-83)(76-86)(77-84)(77-88)(78-85)(78-90)(79-89)(79-91)(80-92)(81-93)(82-93)(83-92)(86-94)(87-94)(88-94)(91-94)(93-94)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 6.6 | — | 10.1016/j.ejmech.2022.114335 | 2022 |
| LO2 | 7.9 | — | 10.1016/j.ejmech.2022.114335 | 2022 |
| HeLa | 9.1 | — | 10.1016/j.ejmech.2022.114335 | 2022 |
| HepG2 | 9.7 | — | 10.1016/j.ejmech.2022.114335 | 2022 |
| HEK293T | 10 | — | 10.1016/j.ejmech.2022.114335 | 2022 |
| A549 | 11 | — | 10.1016/j.ejmech.2022.114335 | 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.