Info
| ID | 895 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "P": 1, "O": 1} |
| Abbreviation | 6 |
| SMILES | C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc2c(c1)OCO2)C(F)(F)F |
TUCAN
C27H32F3N3O4PRu/(1-55)(2-57)(3-57)(4-58)(5-58)(6-33)(7-34)(8-39)(9-34)(10-42)(11-33)(12-33)(13-47)(14-38)(15-48)(16-48)(17-59)(18-49)(19-34)(20-43)(21-35)(22-35)(23-35)(24-40)(25-36)(26-55)(27-37)(28-41)(29-59)(30-49)(31-50)(32-50)(33-44)(34-47)(35-47)(36-51)(36-52)(37-46)(37-54)(38-39)(38-44)(39-45)(40-41)(40-46)(41-53)(42-43)(42-45)(43-44)(45-47)(46-51)(48-60)(48-62)(49-60)(49-61)(50-61)(50-62)(51-64)(52-56)(52-63)(53-54)(53-65)(54-66)(55-65)(55-66)(56-67)(56-68)(56-69)(57-60)(57-70)(58-61)(58-70)(59-62)(59-70)(65-71)(66-71)(70-71)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MG-63 | 31 | — | 10.1021/acs.jmedchem.5b00288 | 2015 |
| CH-1 | 32 | — | 10.1021/acs.jmedchem.5b00288 | 2015 |
| COV362 | 1.5e+02 | — | 10.3389/fphar.2022.920379 | 2022 |
| HIO80 | 1.9e+02 | — | 10.3389/fphar.2022.920379 | 2022 |
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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