Info
| ID | 4439 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 1 |
| SMILES | COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-] |
TUCAN
C26H27N3O3Ru/(1-47)(2-31)(3-28)(4-32)(5-28)(6-38)(7-28)(8-33)(9-30)(10-29)(11-29)(12-36)(13-35)(14-34)(15-30)(16-29)(17-51)(18-51)(19-51)(20-41)(21-39)(22-30)(23-40)(24-42)(25-37)(26-55)(27-54)(28-47)(29-47)(30-45)(31-32)(31-45)(32-43)(33-38)(33-45)(34-35)(34-46)(35-40)(36-37)(36-44)(37-48)(38-43)(39-42)(39-46)(40-42)(41-44)(41-49)(43-47)(44-52)(46-52)(48-49)(48-54)(49-56)(50-54)(50-55)(50-56)(51-59)(52-57)(53-55)(53-58)(53-59)(56-60)(59-60)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.2 | — | 10.1002/chem.201303341 | 2013 |
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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