Info
| ID | 3661 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"N": 1, "S": 1, "O": 1} |
| Abbreviation | OlePyRu |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccncc1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C25H43NO3RuS/(1-45)(2-60)(3-53)(4-52)(5-54)(6-55)(7-53)(8-59)(9-48)(10-56)(11-59)(12-52)(13-55)(14-54)(15-46)(16-63)(17-64)(18-67)(19-67)(20-60)(21-67)(22-47)(23-56)(24-44)(25-44)(26-44)(27-50)(28-50)(29-49)(30-49)(31-57)(32-57)(33-58)(34-58)(35-68)(36-68)(37-68)(38-51)(39-51)(40-61)(41-61)(42-62)(43-62)(44-50)(45-48)(45-51)(46-63)(46-65)(47-64)(47-65)(48-56)(49-50)(49-57)(51-61)(52-53)(52-55)(53-59)(54-55)(54-66)(56-60)(57-58)(58-62)(59-60)(61-62)(63-69)(64-69)(65-72)(66-70)(66-72)(67-73)(68-73)(69-74)(71-73)(72-74)(73-74)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 50 | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| MCF-7 | 85 | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| A375 | 2.5e+02 | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| HCT-116 | 3e+02 | — | 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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