Info
| ID | 813 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 2, "N": 2} |
| Abbreviation | Ru3 |
| SMILES | CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.OCCCCc1ccccc1.[Cl-].[Na+] |
TUCAN
C28H35N2O4RuS/(1-36)(2-36)(3-50)(4-42)(5-41)(6-40)(7-48)(8-36)(9-37)(10-51)(11-52)(12-62)(13-51)(14-45)(15-62)(16-52)(17-37)(18-37)(19-43)(20-38)(21-49)(22-50)(23-58)(24-47)(25-38)(26-59)(27-44)(28-38)(29-56)(30-46)(31-57)(32-39)(33-39)(34-39)(35-69)(36-56)(37-56)(38-57)(39-57)(40-41)(40-42)(41-49)(42-55)(43-53)(43-63)(44-45)(44-58)(45-47)(46-54)(46-63)(47-61)(48-49)(48-55)(50-51)(50-52)(51-62)(52-55)(53-56)(53-60)(54-57)(54-60)(58-64)(59-61)(59-65)(60-65)(61-64)(62-69)(63-70)(64-71)(65-71)(66-70)(67-70)(68-70)(69-71)(70-71)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1016/j.bioorg.2021.105311 | 2021 |
| HeLa | — | — | 10.1016/j.bioorg.2021.105311 | 2021 |
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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