Info
| ID | 1337 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"S": 2, "O": 4} |
| Abbreviation | M4R |
| SMILES | CS(C)=O.CS(C)=O.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12 |
TUCAN
C34H28Cl2O8RuS2/(1-34)(2-30)(3-35)(4-29)(5-57)(6-57)(7-57)(8-58)(9-33)(10-36)(11-39)(12-31)(13-37)(14-38)(15-58)(16-58)(17-59)(18-59)(19-59)(20-40)(21-32)(22-44)(23-42)(24-43)(25-41)(26-60)(27-60)(28-60)(29-30)(29-45)(30-61)(31-32)(31-45)(32-61)(33-34)(33-39)(34-35)(35-55)(36-40)(36-56)(37-42)(37-47)(38-43)(38-47)(39-46)(40-44)(41-44)(41-48)(42-62)(43-62)(45-49)(46-51)(46-55)(47-53)(48-54)(48-56)(49-50)(49-69)(50-51)(50-63)(51-64)(52-53)(52-54)(52-66)(53-70)(54-65)(55-69)(56-70)(57-71)(58-71)(59-72)(60-72)(61-73)(62-74)(67-71)(68-72)(69-75)(70-75)(71-75)(72-75)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 36 | — | 10.1016/j.saa.2017.02.056 | 2017 |
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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