Info
| ID | 2168 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 1} |
| Abbreviation | 2e |
| SMILES | COC(=O)CN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C22H25N2O6RuS/(1-28)(2-29)(3-30)(4-26)(5-26)(6-28)(7-40)(8-26)(9-28)(10-27)(11-36)(12-35)(13-32)(14-31)(15-27)(16-27)(17-43)(18-43)(19-41)(20-43)(21-41)(22-34)(23-33)(24-48)(25-48)(26-40)(27-40)(28-38)(29-30)(29-37)(30-38)(31-32)(31-38)(32-37)(33-34)(33-35)(34-47)(35-36)(36-39)(37-40)(39-44)(39-47)(41-46)(41-49)(42-44)(42-45)(42-49)(43-55)(44-52)(45-48)(45-50)(46-51)(46-55)(47-56)(49-56)(53-56)(54-56)(55-57)(56-57)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | — | — | 10.1002/ejic.201501361 | 2016 |
| SiHa | — | — | 10.1002/ejic.201501361 | 2016 |
| HCT-116 | — | — | 10.1002/ejic.201501361 | 2016 |
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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