Info
| ID | 795 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5} |
| Abbreviation | 9 |
| SMILES | O=C(O)c1cc(C(=O)O)cc(-c2cncnc2)c1.[Cl-].[Cl-].c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1 |
TUCAN
C31H21N5O4RuS/(1-24)(2-28)(3-42)(4-27)(5-25)(6-30)(7-48)(8-31)(9-51)(10-41)(11-26)(12-34)(13-29)(14-33)(15-40)(16-43)(17-22)(18-23)(19-32)(20-60)(21-61)(22-23)(22-52)(23-51)(24-25)(24-30)(25-46)(26-35)(26-37)(27-35)(27-39)(28-33)(28-40)(29-33)(29-45)(30-42)(31-36)(31-47)(32-36)(32-44)(34-37)(34-39)(35-49)(36-52)(37-50)(38-39)(38-41)(38-43)(40-53)(41-54)(42-55)(43-57)(44-45)(44-56)(45-53)(46-47)(46-55)(47-56)(48-54)(48-57)(49-58)(49-61)(50-59)(50-60)(51-62)(52-62)(54-63)(55-63)(56-63)(57-63)(61-63)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 1.2e+02 | — | 10.1002/aoc.6024 | 2020 |
| MCF-7 | 1.4e+02 | — | 10.1002/aoc.6024 | 2020 |
| Vero | 5.8e+02 | — | 10.1002/aoc.6024 | 2020 |
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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