Info
| ID | 273 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 6[CF3SO3] |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1ccc(N=CC=Nc2ccc(C)cc2)cc1.[I-] |
TUCAN
C26H30N2Ru/(1-53)(2-32)(3-37)(4-32)(5-33)(6-45)(7-47)(8-39)(9-31)(10-31)(11-31)(12-33)(13-52)(14-36)(15-32)(16-40)(17-42)(18-35)(19-35)(20-38)(21-43)(22-44)(23-54)(24-46)(25-35)(26-33)(27-34)(28-34)(29-41)(30-34)(31-49)(32-48)(33-52)(34-52)(35-51)(36-37)(36-55)(37-48)(38-40)(38-48)(39-45)(39-49)(40-55)(41-47)(41-49)(42-43)(42-56)(43-51)(44-46)(44-56)(45-50)(46-51)(47-50)(50-52)(53-54)(53-57)(54-58)(55-57)(56-58)(57-59)(58-59)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 0.23 | — | 10.1016/j.cbi.2021.109522 | 2021 |
| A549 | 2.7 | — | 10.1016/j.cbi.2021.109522 | 2021 |
| A2780 | 6.5 | — | 10.1016/j.cbi.2021.109522 | 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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