Info
| ID | 3944 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"S": 4, "O": 3} |
| Abbreviation | 1 |
| SMILES | C1CSCCSCCS1.CS(C)=O.O=C1CC(c2ccc([O-])c([O-])c2)Oc2cc(O)ccc21 |
TUCAN
C23H28O6RuS4/(1-30)(2-31)(3-44)(4-44)(5-46)(6-46)(7-47)(8-47)(9-48)(10-48)(11-29)(12-34)(13-49)(14-49)(15-50)(16-50)(17-51)(18-51)(19-35)(20-44)(21-45)(22-35)(23-43)(24-33)(25-32)(26-45)(27-45)(28-56)(29-31)(29-36)(30-38)(30-39)(31-38)(32-34)(32-40)(33-37)(33-42)(34-37)(35-41)(35-43)(36-39)(36-41)(37-43)(38-56)(39-57)(40-42)(40-52)(41-54)(42-53)(43-57)(44-61)(45-61)(46-50)(46-58)(47-48)(47-58)(48-59)(49-51)(49-59)(50-60)(51-60)(55-61)(56-62)(57-62)(58-62)(59-62)(60-62)(61-62)
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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