Info
| ID | 1780 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.[Cl-] |
TUCAN
C26H27N3ORuS/(1-31)(2-35)(3-48)(4-36)(5-37)(6-28)(7-32)(8-33)(9-49)(10-52)(11-40)(12-38)(13-39)(14-34)(15-41)(16-42)(17-29)(18-29)(19-43)(20-29)(21-28)(22-28)(23-30)(24-30)(25-30)(26-54)(27-57)(28-46)(29-48)(30-48)(31-34)(31-44)(32-42)(32-44)(33-40)(33-45)(34-51)(35-36)(35-46)(36-47)(37-43)(37-47)(38-40)(38-41)(39-41)(39-45)(42-51)(43-46)(44-49)(45-50)(47-48)(49-56)(50-52)(50-55)(51-57)(52-58)(53-54)(53-55)(53-58)(54-56)(55-59)(56-59)(57-59)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 4.2 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780 | 5.2 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HeLa | 6.9 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HFL-1 | 7.3 | — | 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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