Info
| ID | 3445 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | 6 |
| SMILES | COc1ccc(CC([O-])=NN=Cc2ccc3ccc4cccc5ccc2c3c45)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C36H33N2O2Ru/(1-34)(2-38)(3-34)(4-46)(5-34)(6-37)(7-35)(8-35)(9-35)(10-39)(11-49)(12-53)(13-48)(14-45)(15-54)(16-44)(17-43)(18-50)(19-36)(20-36)(21-36)(22-47)(23-67)(24-67)(25-67)(26-42)(27-41)(28-40)(29-65)(30-54)(31-51)(32-52)(33-66)(34-65)(35-65)(36-56)(37-38)(37-55)(38-56)(39-40)(39-55)(40-56)(41-47)(41-62)(42-50)(42-68)(43-49)(43-63)(44-48)(44-61)(45-46)(45-61)(46-60)(47-60)(48-53)(49-57)(50-64)(51-52)(51-64)(52-68)(53-63)(54-64)(54-69)(55-65)(57-59)(57-62)(58-59)(58-61)(58-63)(59-60)(62-66)(66-71)(67-73)(68-73)(69-70)(69-72)(70-71)(70-74)(71-74)(73-74)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 31 | — | 10.1016/j.jorganchem.2018.03.0... | 2018 |
| MCF-7 | 36 | — | 10.1016/j.jorganchem.2018.03.0... | 2018 |
| NIH-3T3 | 2.2e+02 | — | 10.1016/j.jorganchem.2018.03.0... | 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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