Info
| ID | 2425 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 4a |
| SMILES | Cc1ccc(C(C)C)cc1.Nc1cc2ccccc2oc1=O.Nc1cc2ccccc2oc1=O.[Cl-] |
TUCAN
C28H28N2O4Ru/(1-33)(2-38)(3-30)(4-37)(5-50)(6-45)(7-41)(8-42)(9-36)(10-44)(11-40)(12-30)(13-30)(14-29)(15-29)(16-39)(17-34)(18-32)(19-35)(20-43)(21-31)(22-31)(23-29)(24-31)(25-57)(26-57)(27-58)(28-58)(29-47)(30-50)(31-50)(32-36)(32-46)(33-46)(33-51)(34-36)(34-42)(35-40)(35-44)(37-38)(37-47)(38-48)(39-45)(39-48)(40-43)(41-49)(41-52)(42-53)(43-49)(44-54)(45-47)(46-53)(48-50)(49-54)(51-55)(51-57)(52-56)(52-58)(53-61)(54-62)(55-59)(55-61)(56-60)(56-62)(61-63)(62-63)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 86 | — | 10.1016/j.poly.2017.02.011 | 2017 |
| K-562 | 86 | — | 10.1016/j.poly.2017.02.011 | 2017 |
| HeLa | 92 | — | 10.1016/j.poly.2017.02.011 | 2017 |
| K-562 | 1.1e+02 | — | 10.1016/j.poly.2017.02.011 | 2017 |
| CFPAC | 1.1e+02 | — | 10.1016/j.poly.2017.02.011 | 2017 |
| CFPAC | 1.2e+02 | — | 10.1016/j.poly.2017.02.011 | 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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