Info
| ID | 3946 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 4, "O": 2} |
| Abbreviation | 3 |
| SMILES | C1CSCCSCCS1.COc1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O.CS(C)=O |
TUCAN
C24H31O5RuS4/(1-39)(2-48)(3-36)(4-34)(5-48)(6-35)(7-39)(8-48)(9-50)(10-50)(11-42)(12-49)(13-33)(14-42)(15-32)(16-49)(17-47)(18-42)(19-51)(20-51)(21-52)(22-52)(23-38)(24-49)(25-37)(26-53)(27-53)(28-54)(29-54)(30-55)(31-55)(32-43)(32-45)(33-43)(33-44)(34-35)(34-36)(35-41)(36-38)(37-38)(37-41)(39-46)(39-47)(40-44)(40-45)(40-46)(41-47)(42-60)(43-60)(44-56)(45-59)(46-57)(47-59)(48-64)(49-64)(50-55)(50-61)(51-53)(51-61)(52-54)(52-62)(53-62)(54-63)(55-63)(58-64)(59-65)(60-65)(61-65)(62-65)(63-65)(64-65)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MG-63 | — | — | 10.1016/j.ica.2019.01.003 | 2019 |
| PC-3 | — | — | 10.1016/j.ica.2019.01.003 | 2019 |
| MCF-7 | — | — | 10.1016/j.ica.2019.01.003 | 2019 |
| MDA-MB-231 | — | — | 10.1016/j.ica.2019.01.003 | 2019 |
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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