Info
| ID | 1775 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 3 |
| SMILES | CC(=O)c1sc(NN=Cc2ccccc2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C23H27N3ORuS/(1-30)(2-34)(3-30)(4-33)(5-30)(6-31)(7-31)(8-36)(9-28)(10-31)(11-45)(12-29)(13-38)(14-39)(15-37)(16-46)(17-41)(18-28)(19-28)(20-35)(21-29)(22-29)(23-32)(24-40)(25-32)(26-32)(27-51)(28-42)(29-47)(30-45)(31-45)(32-48)(33-34)(33-42)(34-44)(35-36)(35-42)(36-44)(37-38)(37-43)(38-39)(39-40)(40-41)(41-43)(43-46)(44-45)(46-53)(47-49)(47-52)(48-49)(48-54)(49-55)(50-51)(50-52)(50-55)(51-53)(52-56)(53-56)(55-56)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 2.1 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HFL-1 | 6.4 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780 | 7 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HeLa | 11 | — | 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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