Info
| ID | 3134 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | RuIQ-2 |
| SMILES | [c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C39H26N5Ru/(1-29)(2-56)(3-32)(4-44)(5-60)(6-28)(7-57)(8-39)(9-58)(10-30)(11-41)(12-38)(13-59)(14-37)(15-42)(16-35)(17-47)(18-31)(19-45)(20-40)(21-33)(22-46)(23-36)(24-48)(25-34)(26-43)(27-34)(27-50)(28-32)(28-56)(29-31)(29-49)(30-41)(30-57)(31-52)(32-49)(33-46)(33-54)(34-36)(35-36)(35-37)(37-50)(38-45)(38-58)(39-40)(39-52)(40-59)(41-54)(42-44)(42-47)(43-53)(43-60)(44-51)(45-55)(46-55)(47-48)(48-53)(49-61)(50-62)(51-53)(51-62)(52-63)(54-64)(55-65)(56-66)(57-67)(58-68)(59-69)(60-70)(61-63)(61-66)(62-70)(63-69)(64-65)(64-67)(65-68)(66-71)(67-71)(68-71)(69-71)(70-71)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | 1.8 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| A549 | 2.5 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| HeLa | 4.7 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| MCF-7 | 7 | — | 10.1016/j.ejmech.2020.112562 | 2020 |
| HBE | 20 | — | 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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