Info
| ID | 1788 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 16 |
| SMILES | CCC(=O)c1sc(NN=Cc2cccc(Cl)c2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C24H28ClN3ORuS/(1-35)(2-36)(3-29)(4-46)(5-37)(6-29)(7-29)(8-30)(9-32)(10-32)(11-33)(12-30)(13-38)(14-30)(15-39)(16-33)(17-42)(18-42)(19-40)(20-47)(21-31)(22-31)(23-31)(24-34)(25-32)(26-33)(27-41)(28-53)(29-46)(30-46)(31-42)(32-44)(33-48)(34-35)(34-52)(35-40)(36-38)(36-43)(37-39)(37-43)(38-44)(39-44)(40-45)(41-45)(41-52)(42-49)(43-46)(45-47)(47-55)(48-50)(48-54)(49-50)(49-56)(50-57)(51-53)(51-54)(51-57)(52-58)(53-55)(54-59)(55-59)(57-59)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.7 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HFL-1 | 2.8 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780 | 3.8 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780cisR | 3.8 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
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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