Info
| ID | 4654 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2 |
| SMILES | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C29H35ClFN5O2Ru/(1-36)(2-38)(3-53)(4-36)(5-36)(6-37)(7-52)(8-39)(9-40)(10-41)(11-42)(12-52)(13-53)(14-38)(15-37)(16-38)(17-37)(18-51)(19-59)(20-47)(21-59)(22-59)(23-57)(24-46)(25-45)(26-60)(27-54)(28-44)(29-43)(30-54)(31-60)(32-66)(33-67)(34-65)(35-65)(36-51)(37-51)(38-49)(39-40)(39-49)(40-48)(41-42)(41-48)(42-49)(43-55)(43-64)(44-50)(44-61)(45-47)(45-63)(46-56)(46-62)(47-55)(48-51)(50-56)(50-58)(52-53)(52-65)(53-66)(54-60)(54-66)(55-67)(56-69)(57-68)(57-69)(58-67)(58-68)(59-71)(60-70)(61-62)(61-70)(62-71)(63-64)(63-72)(64-73)(68-74)(69-74)(70-74)(71-74)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | — | — | 10.1039/c3cc43000f | 2013 |
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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