Info
| ID | 4006 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 3, "As": 1} |
| Abbreviation | 4 |
| SMILES | COc1cccc(/C([O-])=N/N=C(\c2ccccc2)c2ccccn2)c1.[Br-].[Br-].c1ccc([As](c2ccccc2)c2ccccc2)cc1 |
TUCAN
C38H31AsN3O2Ru/(1-33)(2-35)(3-32)(4-58)(5-36)(6-38)(7-34)(8-48)(9-47)(10-39)(11-45)(12-56)(13-37)(14-46)(15-50)(16-49)(17-42)(18-43)(19-55)(20-64)(21-40)(22-52)(23-51)(24-54)(25-41)(26-53)(27-57)(28-44)(29-61)(30-64)(31-64)(32-33)(32-36)(33-67)(34-35)(34-36)(35-67)(37-38)(37-48)(38-68)(39-46)(39-62)(40-41)(40-45)(41-44)(42-43)(42-59)(43-55)(44-56)(45-60)(46-58)(47-49)(47-68)(48-49)(50-51)(50-53)(51-52)(52-69)(53-54)(54-69)(55-65)(56-60)(57-59)(57-65)(58-61)(59-66)(60-63)(61-70)(62-63)(62-70)(63-71)(64-74)(65-74)(66-72)(66-73)(67-75)(68-75)(69-75)(71-72)(71-76)(72-76)(74-76)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 21 | — | 10.1016/j.ica.2021.120532 | 2021 |
| A549 | 22 | — | 10.1016/j.ica.2021.120532 | 2021 |
| HaCaT | — | — | 10.1016/j.ica.2021.120532 | 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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