Info
| ID | 5736 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | Ir2 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C32H26Br2IrN5O2S/(1-33)(2-29)(3-31)(4-37)(5-35)(6-42)(7-32)(8-47)(9-30)(10-53)(11-53)(12-53)(13-52)(14-48)(15-39)(16-52)(17-38)(18-40)(19-49)(20-34)(21-52)(22-41)(23-43)(24-36)(25-59)(26-59)(27-34)(27-44)(28-43)(28-45)(29-33)(29-37)(30-31)(30-50)(31-32)(32-47)(33-44)(34-37)(35-40)(35-41)(36-42)(36-49)(38-42)(38-51)(39-46)(39-54)(40-43)(41-45)(44-50)(45-51)(46-48)(46-58)(47-60)(48-63)(49-61)(50-60)(51-61)(52-65)(53-64)(54-55)(54-64)(55-57)(55-65)(56-59)(56-62)(56-66)(57-58)(57-67)(58-68)(60-69)(61-69)(62-63)(62-69)(63-69)(64-69)(65-69)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 34 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 39 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MCF-7 | 46 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 51 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 60 | — | 10.1021/acs.jmedchem.3c01156 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.