Info
| ID | 753 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 1a |
| SMILES | Brc1ccc2nc(-c3ccccn3)cc(-c3ccccc3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C30H27BrN2Ru/(1-32)(2-28)(3-28)(4-31)(5-28)(6-29)(7-34)(8-29)(9-29)(10-30)(11-30)(12-42)(13-33)(14-45)(15-39)(16-41)(17-37)(18-44)(19-38)(20-30)(21-35)(22-40)(23-52)(24-46)(25-53)(26-36)(27-43)(28-52)(29-52)(30-48)(31-32)(31-47)(32-48)(33-34)(33-50)(34-42)(35-49)(35-57)(36-45)(36-50)(37-38)(37-43)(38-53)(39-40)(39-47)(40-48)(41-44)(41-57)(42-45)(43-54)(44-56)(46-51)(46-55)(47-52)(49-51)(49-56)(50-51)(53-58)(54-55)(54-58)(55-59)(56-59)(57-60)(58-61)(59-61)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293T | 36 | — | 10.3390/chemistry6040046 | 2024 |
| HEK293T | 1e+02 | — | 10.3390/chemistry6040046 | 2024 |
| HeLa | 1.1e+02 | — | 10.3390/chemistry6040046 | 2024 |
| HeLa | 1.1e+02 | — | 10.3390/chemistry6040046 | 2024 |
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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