Info
| ID | 6095 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 4 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.Clc1ccccc1SCCn1cccn1.[Cl-] |
TUCAN
C21H26ClIrN2S/(1-33)(2-27)(3-27)(4-27)(5-28)(6-28)(7-43)(8-44)(9-45)(10-34)(11-45)(12-32)(13-44)(14-36)(15-35)(16-42)(17-28)(18-29)(19-29)(20-29)(21-30)(22-30)(23-30)(24-31)(25-31)(26-31)(27-37)(28-38)(29-39)(30-40)(31-41)(32-35)(32-46)(33-36)(33-47)(34-42)(34-43)(35-36)(37-38)(37-39)(38-40)(39-41)(40-41)(42-48)(43-49)(44-45)(44-48)(45-50)(46-47)(46-50)(47-51)(48-49)(49-52)(50-52)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 27 | — | 10.1039/d3bm01027a | 2023 |
| MDA-MB-231 | 31 | — | 10.1039/d3bm01027a | 2023 |
| BEAS-2B | 42 | — | 10.1039/d3bm01027a | 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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