Info
| ID | 3706 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | 2c |
| SMILES | O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C33H22N6O2Ru/(1-45)(2-48)(3-24)(4-37)(5-34)(6-23)(7-46)(8-30)(9-25)(10-35)(11-29)(12-36)(13-26)(14-28)(15-40)(16-47)(17-27)(18-31)(19-39)(20-38)(21-32)(22-33)(23-34)(23-44)(24-25)(24-45)(25-41)(26-35)(26-48)(27-33)(27-41)(28-43)(28-51)(29-40)(29-53)(30-32)(30-36)(31-43)(31-52)(32-47)(33-42)(34-50)(35-42)(36-55)(37-40)(37-46)(38-39)(38-44)(39-50)(41-49)(42-54)(43-44)(45-60)(46-56)(47-58)(48-61)(49-54)(49-60)(50-57)(51-53)(51-59)(52-55)(52-59)(53-56)(54-61)(55-58)(57-62)(57-63)(58-64)(59-64)(60-64)(61-64)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 17 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| MCF-7 | 30 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| A549 | 59 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HK-2 | 87 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HepG2 | — | — | 10.1016/j.biomaterials.2017.03... | 2017 |
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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