Info
| ID | 3658 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"N": 1, "S": 1, "O": 1} |
| Abbreviation | MyriPyRu |
| SMILES | CCCCCCCCCCCCCC(=O)Oc1ccncc1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C21H37NO3RuS/(1-46)(2-45)(3-48)(4-48)(5-47)(6-47)(7-50)(8-50)(9-49)(10-49)(11-39)(12-53)(13-54)(14-57)(15-57)(16-45)(17-57)(18-40)(19-46)(20-38)(21-38)(22-38)(23-42)(24-42)(25-41)(26-41)(27-52)(28-52)(29-58)(30-58)(31-58)(32-43)(33-43)(34-44)(35-44)(36-51)(37-51)(38-42)(39-53)(39-55)(40-54)(40-55)(41-42)(41-52)(43-44)(43-46)(44-51)(45-46)(45-48)(47-48)(47-50)(49-50)(49-56)(51-52)(53-59)(54-59)(55-62)(56-60)(56-62)(57-63)(58-63)(59-64)(61-63)(62-64)(63-64)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| MDA-MB-231 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| A375 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| HCT-116 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| HaCaT | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
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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