Info
| ID | 2614 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"N": 1, "S": 1, "O": 1} |
| Abbreviation | 3 |
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C28H39NO3RuS/(1-50)(2-66)(3-66)(4-42)(5-42)(6-58)(7-40)(8-43)(9-59)(10-48)(11-46)(12-53)(13-51)(14-42)(15-52)(16-44)(17-63)(18-62)(19-50)(20-48)(21-52)(22-66)(23-57)(24-51)(25-53)(26-45)(27-64)(28-41)(29-41)(30-41)(31-67)(32-67)(33-67)(34-40)(35-40)(36-47)(37-47)(38-49)(39-49)(40-60)(41-65)(42-61)(43-45)(43-63)(44-50)(44-56)(45-55)(46-53)(46-54)(47-49)(47-60)(48-51)(48-57)(49-64)(50-59)(51-61)(52-56)(52-64)(53-58)(54-55)(54-61)(55-62)(56-60)(57-59)(57-60)(58-59)(58-61)(62-68)(63-68)(64-71)(65-69)(65-71)(66-72)(67-72)(68-73)(70-72)(71-73)(72-73)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 22 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| LNCaP | 24 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| WI-38 | 30 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| MCF-7 | 39 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| HCT-116 | 40 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| RDF | 86 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
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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