Info
| ID | 4786 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"S": 1, "O": 1, "N": 5} |
| Abbreviation | 13 |
| SMILES | CS(C)=O.O=C(NCCCCCCCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C32H43Cl2N5O2RuS/(1-65)(2-47)(3-65)(4-48)(5-44)(6-51)(7-70)(8-52)(9-58)(10-54)(11-55)(12-56)(13-66)(14-56)(15-55)(16-54)(17-58)(18-57)(19-60)(20-67)(21-53)(22-52)(23-50)(24-51)(25-59)(26-45)(27-67)(28-60)(29-53)(30-63)(31-49)(32-66)(33-64)(34-46)(35-59)(36-57)(37-72)(38-72)(39-72)(40-73)(41-73)(42-73)(43-76)(44-74)(44-75)(45-50)(45-75)(46-49)(46-61)(47-48)(47-49)(48-68)(50-62)(51-59)(51-65)(52-53)(52-60)(53-57)(54-55)(54-58)(55-56)(56-66)(57-58)(59-60)(61-68)(61-69)(62-67)(62-74)(63-64)(63-77)(64-79)(65-77)(66-76)(67-78)(68-78)(69-71)(69-80)(70-77)(70-79)(71-76)(71-81)(72-83)(73-83)(74-84)(75-85)(78-80)(79-86)(80-86)(82-83)(83-86)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 16 | — | 10.1134/S0036023621030177 | 2021 |
| SW480 | 16 | — | 10.1134/S0036023621030177 | 2021 |
| HCT-116 | 61 | — | 10.1134/S0036023621030177 | 2021 |
| A549 | 67 | — | 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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