Info
| ID | 3133 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | RuIQ-1 |
| SMILES | [c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C35H26N5Ru/(1-30)(2-28)(3-40)(4-42)(5-33)(6-29)(7-31)(8-39)(9-32)(10-52)(11-53)(12-55)(13-37)(14-48)(15-47)(16-45)(17-54)(18-41)(19-56)(20-44)(21-46)(22-43)(23-34)(24-36)(25-35)(26-38)(27-33)(27-51)(28-29)(28-52)(29-30)(30-57)(31-39)(31-58)(32-44)(32-59)(33-36)(34-36)(34-37)(35-49)(35-55)(37-51)(38-48)(38-49)(39-43)(40-44)(40-53)(41-46)(41-54)(42-47)(42-50)(43-56)(45-46)(45-60)(47-48)(49-50)(50-61)(51-61)(52-62)(53-63)(54-64)(55-66)(56-65)(57-58)(57-62)(58-65)(59-60)(59-63)(60-64)(61-66)(62-67)(63-67)(64-67)(65-67)(66-67)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | 2.1 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| A549 | 3.2 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| HeLa | 4.3 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| MCF-7 | 7.2 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| HBE | 22 | — | 10.1016/j.ejmech.2020.112562 | 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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