Info
| ID | 4289 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3 |
| SMILES | CCNCC[N-]S(=O)(=O)c1ccc(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C21H31N2O2RuS/(1-48)(2-32)(3-32)(4-32)(5-35)(6-37)(7-40)(8-35)(9-35)(10-34)(11-34)(12-43)(13-49)(14-49)(15-33)(16-39)(17-44)(18-33)(19-33)(20-50)(21-36)(22-36)(23-42)(24-34)(25-38)(26-41)(27-36)(28-51)(29-50)(30-51)(31-53)(32-48)(33-45)(34-47)(35-48)(36-51)(37-40)(37-47)(38-41)(38-47)(39-43)(39-45)(40-46)(41-46)(42-44)(42-45)(43-52)(44-52)(46-48)(49-50)(49-54)(50-53)(51-53)(52-57)(54-57)(54-58)(55-57)(56-57)(57-58)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 23 | — | 10.1039/c8dt00438b | 2018 |
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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