Info
| ID | 4048 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 6} |
| Abbreviation | 1 |
| SMILES | OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.c1cc[cH-]c1 |
TUCAN
C18H23O6Ru/(1-24)(2-25)(3-37)(4-39)(5-31)(6-30)(7-29)(8-38)(9-26)(10-27)(11-28)(12-40)(13-36)(14-36)(15-32)(16-33)(17-35)(18-41)(19-35)(20-43)(21-44)(22-42)(23-45)(24-25)(24-26)(25-27)(26-28)(27-28)(29-30)(29-31)(30-32)(31-34)(32-33)(33-34)(34-35)(35-46)(36-40)(36-45)(37-39)(37-40)(37-42)(38-39)(38-41)(38-44)(39-43)(40-47)(41-46)(41-47)(42-48)(43-48)(44-48)(45-48)(46-48)(47-48)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | — | — | 10.1002/aoc.5318 | 2019 |
| A2780 | — | — | 10.1002/aoc.5318 | 2019 |
| SK-OV-3 | — | — | 10.1002/aoc.5318 | 2019 |
| SK-OV-3 | — | — | 10.1002/aoc.5318 | 2019 |
| HEK293 | — | — | 10.1002/aoc.5318 | 2019 |
| HEK293 | — | — | 10.1002/aoc.5318 | 2019 |
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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