Info
| ID | 636 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | Ru2 |
| SMILES | CC(=O)[O-].CC(C)(C)c1ccc(/N=C/c2ccccc2[NH-])cc1.Cc1ccc(C(C)C)cc1 |
TUCAN
C29H36N2O2Ru/(1-37)(2-47)(3-48)(4-51)(5-60)(6-44)(7-45)(8-41)(9-37)(10-37)(11-38)(12-53)(13-49)(14-50)(15-38)(16-38)(17-39)(18-39)(19-39)(20-40)(21-40)(22-55)(23-40)(24-43)(25-54)(26-41)(27-41)(28-52)(29-46)(30-62)(31-43)(32-43)(33-42)(34-42)(35-42)(36-66)(37-60)(38-60)(39-61)(40-61)(41-59)(42-65)(43-61)(44-45)(44-51)(45-46)(46-57)(47-48)(47-59)(48-56)(49-50)(49-63)(50-58)(51-64)(52-53)(52-56)(53-59)(54-55)(54-63)(55-58)(56-60)(57-62)(57-64)(58-61)(62-67)(63-67)(64-66)(65-68)(65-69)(66-70)(67-70)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 7.6 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| A549 | 11 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| A549cisR | 13 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| BEAS-2B | 24 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
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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