Info
| ID | 496 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 2} |
| Abbreviation | 8a |
| SMILES | Cc1ccc(C(C)C)cc1.O=C1C(CN2CCOCC2)=C([O-])C([O-])(n2cccn2)c2ccccc21 |
TUCAN
C28H31N3O4Ru/(1-32)(2-37)(3-33)(4-36)(5-32)(6-35)(7-55)(8-52)(9-50)(10-55)(11-56)(12-40)(13-56)(14-52)(15-53)(16-42)(17-53)(18-39)(19-41)(20-54)(21-54)(22-51)(23-38)(24-33)(25-43)(26-33)(27-34)(28-34)(29-34)(30-32)(31-49)(32-46)(33-49)(34-49)(35-42)(35-44)(36-37)(36-46)(37-47)(38-43)(38-47)(39-40)(39-42)(40-45)(41-50)(41-51)(43-46)(44-45)(44-59)(45-58)(47-49)(48-54)(48-57)(48-58)(50-61)(51-62)(52-55)(52-60)(53-56)(53-60)(54-60)(55-66)(56-66)(57-59)(57-64)(58-65)(59-61)(59-63)(61-62)(62-67)(66-67)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW480 | 33 | — | 10.1021/acs.inorgchem.1c01083 | 2021 |
| CH1/PA-1 | 1.5e+02 | — | 10.1021/acs.inorgchem.1c01083 | 2021 |
| A549 | — | — | 10.1021/acs.inorgchem.1c01083 | 2021 |
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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