Info
| ID | 2000 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4, "S": 1, "O": 2, "As": 1} |
| Abbreviation | 3 |
| SMILES | N/C([S-])=N\N=C(\c1ccccc1)c1cc(Cl)ccc1N=Cc1cc(Cl)ccc1[O-].[C-]#[O+].c1ccc([As](c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H29AsCl2N4O2RuS/(1-34)(2-30)(3-32)(4-33)(5-42)(6-52)(7-51)(8-50)(9-35)(10-37)(11-31)(12-36)(13-39)(14-48)(15-38)(16-55)(17-53)(18-45)(19-46)(20-44)(21-43)(22-49)(23-41)(24-47)(25-40)(26-54)(27-59)(28-70)(29-70)(30-32)(30-34)(31-33)(31-34)(32-67)(33-67)(35-36)(35-38)(36-37)(37-68)(38-39)(39-68)(40-56)(40-65)(41-43)(41-65)(42-50)(42-63)(43-61)(44-45)(44-69)(45-48)(46-47)(46-48)(47-69)(49-52)(49-58)(50-66)(51-52)(51-55)(53-57)(53-66)(54-55)(54-58)(56-60)(56-61)(57-59)(57-63)(58-60)(59-71)(60-72)(61-71)(62-74)(63-75)(64-70)(64-73)(64-76)(65-77)(66-78)(67-79)(68-79)(69-79)(72-73)(72-80)(73-80)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 4.5 | — | 10.1016/j.jorganchem.2014.06.0... | 2014 |
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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