Info
| ID | 5737 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | Ir3 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C36H26Br2IrN5O2S/(1-29)(2-34)(3-51)(4-30)(5-35)(6-32)(7-31)(8-53)(9-33)(10-57)(11-57)(12-57)(13-56)(14-52)(15-39)(16-56)(17-43)(18-41)(19-38)(20-37)(21-56)(22-40)(23-36)(24-42)(25-63)(26-63)(27-34)(27-46)(28-38)(28-49)(29-33)(29-47)(30-34)(30-35)(31-32)(31-51)(32-44)(33-44)(35-47)(36-41)(36-48)(37-42)(37-53)(38-40)(39-50)(39-58)(40-43)(41-45)(42-45)(43-48)(44-54)(45-55)(46-47)(46-54)(48-49)(49-55)(50-52)(50-61)(51-64)(52-67)(53-65)(54-64)(55-65)(56-69)(57-68)(58-59)(58-68)(59-62)(59-69)(60-63)(60-66)(60-70)(61-62)(61-72)(62-71)(64-73)(65-73)(66-67)(66-73)(67-73)(68-73)(69-73)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 28 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 38 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MCF-7 | 44 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 45 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 54 | — | 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.