Info
| ID | 837 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 3, "N": 3} |
| Abbreviation | Ru(H2dtpa) (H2O) |
| SMILES | O.O=C([O-])CN(CCN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O)CC(=O)[O-] |
TUCAN
C14H20N3O10Ru/(1-27)(2-23)(3-27)(4-28)(5-29)(6-28)(7-25)(8-26)(9-21)(10-29)(11-21)(12-24)(13-25)(14-26)(15-24)(16-23)(17-22)(18-22)(19-47)(20-46)(21-31)(21-36)(22-33)(22-35)(23-25)(23-36)(24-32)(24-36)(25-37)(26-30)(26-37)(27-34)(27-35)(28-29)(28-35)(29-37)(30-39)(30-46)(31-38)(31-40)(32-41)(32-42)(33-43)(33-45)(34-44)(34-47)(46-48)(47-48)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| W138 | 4e+02 | — | 10.1002/aoc.7173 | 2023 |
| MCF-7 | 4.2e+02 | — | 10.1002/aoc.7173 | 2023 |
| A549 | 4.4e+02 | — | 10.1002/aoc.7173 | 2023 |
| HCT-116 | 5.4e+02 | — | 10.1002/aoc.7173 | 2023 |
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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