Info
| ID | 3507 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 3, "S": 2} |
| Abbreviation | M1R |
| SMILES | COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O |
TUCAN
C24H37O7RuS4/(1-54)(2-54)(3-54)(4-55)(5-55)(6-55)(7-56)(8-56)(9-56)(10-57)(11-57)(12-57)(13-58)(14-58)(15-58)(16-59)(17-59)(18-59)(19-43)(20-60)(21-60)(22-60)(23-40)(24-46)(25-47)(26-38)(27-39)(28-41)(29-61)(30-61)(31-42)(32-45)(33-44)(34-50)(35-50)(36-50)(37-61)(38-39)(38-47)(39-48)(40-43)(40-49)(41-42)(41-52)(42-49)(43-51)(44-45)(44-51)(45-49)(46-47)(46-53)(48-52)(48-53)(50-68)(51-68)(52-62)(53-63)(54-69)(55-69)(56-70)(57-70)(58-71)(59-71)(60-72)(61-72)(64-69)(65-70)(66-71)(67-72)(68-73)(69-73)(70-73)(71-73)(72-73)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 15 | — | 10.1016/j.molstruc.2016.01.070 | 2016 |
| HEK293 | 22 | — | 10.1016/j.molstruc.2016.01.070 | 2016 |
| MDA-MB-231 | 29 | — | 10.1016/j.molstruc.2016.01.070 | 2016 |
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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