Info
| ID | 3444 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | 5 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].[O-]C(Cc1ccc(Br)cc1)=NN=Cc1ccc2ccc3cccc4ccc1c2c34 |
TUCAN
C35H30BrN2ORu/(1-63)(2-46)(3-31)(4-39)(5-32)(6-31)(7-42)(8-47)(9-48)(10-41)(11-34)(12-36)(13-43)(14-44)(15-38)(16-51)(17-51)(18-35)(19-45)(20-49)(21-37)(22-31)(23-50)(24-32)(25-32)(26-33)(27-40)(28-62)(29-33)(30-33)(31-53)(32-62)(33-62)(34-36)(34-58)(35-38)(35-65)(36-48)(37-39)(37-53)(38-61)(39-54)(40-50)(40-54)(41-42)(41-55)(42-58)(43-47)(43-60)(44-46)(44-57)(45-49)(45-61)(46-60)(47-59)(48-59)(49-65)(50-53)(51-61)(51-64)(52-55)(52-56)(52-60)(54-62)(55-57)(56-58)(56-59)(57-63)(63-66)(64-67)(64-68)(65-69)(66-67)(66-70)(67-70)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 40 | — | 10.1016/j.jorganchem.2018.03.0... | 2018 |
| A549 | 45 | — | 10.1016/j.jorganchem.2018.03.0... | 2018 |
| NIH-3T3 | 2.3e+02 | — | 10.1016/j.jorganchem.2018.03.0... | 2018 |
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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