Info
| ID | 1773 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 1 |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1csc(NN=Cc2ccccc2)n1.[Cl-] |
TUCAN
C21H25N3RuS/(1-29)(2-29)(3-27)(4-27)(5-27)(6-28)(7-42)(8-43)(9-30)(10-36)(11-32)(12-37)(13-45)(14-29)(15-31)(16-26)(17-26)(18-33)(19-34)(20-28)(21-35)(22-26)(23-38)(24-28)(25-47)(26-40)(27-42)(28-42)(29-44)(30-32)(30-39)(31-32)(31-37)(33-34)(33-40)(34-41)(35-38)(35-41)(36-37)(36-39)(38-40)(39-43)(41-42)(43-49)(44-45)(44-48)(45-50)(46-47)(46-48)(46-50)(47-49)(48-51)(49-51)(50-51)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 7.4 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780 | 9.7 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780cisR | 13 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HFL-1 | 18 | — | 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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