Info
| ID | 3553 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ru1 |
| SMILES | Cc1ccc(C(C)C)cc1.Fc1ccc(/N=C2C(=N/c3ccc(F)cc3)/c3cccc4cccc/2c34)cc1.[Cl-] |
TUCAN
C34H28F2N2Ru/(1-33)(2-43)(3-29)(4-30)(5-56)(6-29)(7-45)(8-40)(9-32)(10-41)(11-38)(12-47)(13-39)(14-49)(15-46)(16-35)(17-42)(18-44)(19-36)(20-30)(21-34)(22-30)(23-31)(24-48)(25-37)(26-29)(27-31)(28-31)(29-51)(30-56)(31-56)(32-33)(32-57)(33-61)(34-36)(34-51)(35-43)(35-57)(36-52)(37-48)(37-52)(38-40)(38-41)(39-46)(39-47)(40-54)(41-53)(42-45)(42-59)(43-61)(44-49)(44-59)(45-62)(46-54)(47-55)(48-51)(49-62)(50-53)(50-54)(50-55)(52-56)(53-58)(55-60)(57-63)(58-60)(58-63)(59-64)(60-64)(61-65)(62-66)(63-67)(64-67)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CT-26 | 0.9 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| HepG2 | 1.7 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| CT-26 | 2.3 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| HCT-116 | 2.7 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| NIH-3T3 | 2.8 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| A549 | 2.9 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| HeLa | 2.9 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| SMMC-7721 | 3.1 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| HT-29 | 3.2 | — | 10.1016/j.ejmech.2020.112763 | 2020 |
| HepG2 | 3.2 | — | 10.1016/j.ejmech.2020.112763 | 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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