Info
| ID | 4785 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"S": 1, "O": 1, "N": 5} |
| Abbreviation | 12 |
| SMILES | CS(C)=O.O=C(NCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C26H31Cl2N5O2RuS/(1-48)(2-34)(3-48)(4-36)(5-37)(6-39)(7-52)(8-40)(9-41)(10-47)(11-49)(12-40)(13-32)(14-39)(15-42)(16-38)(17-47)(18-41)(19-49)(20-45)(21-35)(22-46)(23-33)(24-42)(25-54)(26-54)(27-54)(28-55)(29-55)(30-55)(31-58)(32-38)(32-43)(33-35)(33-44)(34-35)(34-36)(36-51)(37-56)(37-57)(38-57)(39-42)(39-48)(40-41)(40-49)(41-42)(43-47)(43-56)(44-50)(44-51)(45-46)(45-59)(46-61)(47-60)(48-59)(49-58)(50-53)(50-62)(51-60)(52-59)(52-61)(53-58)(53-63)(54-65)(55-65)(56-66)(57-67)(60-62)(61-68)(62-68)(64-65)(65-68)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW480 | 28 | — | 10.1134/S0036023621030177 | 2021 |
| MCF-7 | 33 | — | 10.1134/S0036023621030177 | 2021 |
| A549 | 67 | — | 10.1134/S0036023621030177 | 2021 |
| HCT-116 | 74 | — | 10.1134/S0036023621030177 | 2021 |
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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