Info
| ID | 5735 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 7, "S": 1} |
| Abbreviation | Ir1 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1 |
TUCAN
C28H24Br2IrN7O2S/(1-39)(2-29)(3-30)(4-27)(5-31)(6-40)(7-28)(8-43)(9-37)(10-47)(11-41)(12-35)(13-47)(14-47)(15-46)(16-46)(17-34)(18-32)(19-33)(20-46)(21-42)(22-36)(23-53)(24-53)(25-27)(25-44)(26-32)(26-45)(27-31)(28-39)(28-40)(29-30)(29-31)(30-44)(32-36)(33-36)(33-37)(34-42)(34-43)(35-38)(35-49)(37-45)(38-41)(38-51)(39-56)(40-54)(41-59)(42-55)(43-58)(44-54)(45-55)(46-60)(47-61)(48-49)(48-52)(48-60)(49-61)(50-53)(50-57)(50-62)(51-52)(51-63)(52-64)(54-56)(55-58)(56-65)(57-59)(57-65)(58-65)(59-65)(60-65)(61-65)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 39 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 54 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 61 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 65 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MCF-7 | 66 | — | 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.