Info
| ID | 932 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 2(TfO) |
| SMILES | COc1ccc(CNC(=S)N/N=C\c2ccc(O)cc2F)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C26H30FN3O2RuS/(1-32)(2-31)(3-34)(4-39)(5-32)(6-31)(7-31)(8-36)(9-33)(10-33)(11-32)(12-42)(13-33)(14-49)(15-35)(16-40)(17-44)(18-52)(19-52)(20-52)(21-43)(22-51)(23-51)(24-41)(25-37)(26-50)(27-38)(28-57)(29-58)(30-60)(31-49)(32-45)(33-49)(34-36)(34-46)(35-42)(35-46)(36-45)(37-53)(37-55)(38-41)(38-47)(39-40)(39-54)(40-48)(41-53)(42-45)(43-44)(43-48)(44-54)(46-49)(47-50)(47-55)(48-51)(50-59)(51-57)(52-61)(53-60)(54-61)(55-62)(56-57)(56-58)(56-63)(58-59)(59-64)(60-64)(61-64)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 53 | — | 10.3390/molecules27227976 | 2022 |
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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