Info
| ID | 4784 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"S": 1, "O": 1, "N": 5} |
| Abbreviation | 11 |
| SMILES | CS(C)=O.O=C(NCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C23H25Cl2N5O2RuS/(1-40)(2-27)(3-40)(4-29)(5-30)(6-33)(7-43)(8-38)(9-31)(10-33)(11-39)(12-32)(13-38)(14-37)(15-28)(16-36)(17-26)(18-39)(19-45)(20-45)(21-45)(22-46)(23-46)(24-46)(25-49)(26-28)(26-34)(27-28)(27-29)(29-42)(30-47)(30-48)(31-32)(31-35)(32-47)(33-39)(33-40)(34-41)(34-42)(35-38)(35-48)(36-37)(36-52)(37-50)(38-51)(39-49)(40-50)(41-44)(41-53)(42-51)(43-50)(43-52)(44-49)(44-54)(45-56)(46-56)(47-58)(48-57)(51-53)(52-59)(53-59)(55-56)(56-59)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 40 | — | 10.1134/S0036023621030177 | 2021 |
| SW480 | 52 | — | 10.1134/S0036023621030177 | 2021 |
| A549 | 79 | — | 10.1134/S0036023621030177 | 2021 |
| HCT-116 | — | — | 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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