Info
| ID | 3726 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C42H31Cl3N6ORu/(1-32)(2-36)(3-34)(4-35)(5-42)(6-57)(7-68)(8-69)(9-33)(10-58)(11-61)(12-70)(13-49)(14-50)(15-63)(16-60)(17-63)(18-59)(19-43)(20-37)(21-40)(22-39)(23-38)(24-62)(25-48)(26-44)(27-47)(28-46)(29-69)(30-41)(31-45)(32-33)(32-51)(33-57)(34-35)(34-51)(35-52)(36-37)(36-52)(37-58)(38-43)(38-59)(39-40)(39-46)(40-41)(41-71)(42-45)(42-53)(43-53)(44-48)(44-62)(45-56)(46-55)(47-72)(47-73)(48-56)(49-50)(49-54)(50-72)(51-64)(52-65)(53-66)(54-70)(54-73)(55-69)(55-71)(56-67)(57-75)(58-76)(59-78)(60-61)(60-74)(61-77)(62-79)(63-70)(63-74)(64-65)(64-75)(65-76)(66-67)(66-78)(67-79)(68-74)(68-77)(69-80)(70-80)(71-83)(72-81)(73-82)(75-84)(76-84)(77-84)(78-84)(79-84)(80-84)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.9 | 1.4 | 10.1039/c5cc05172j | 2015 |
| LNCaP | 4.2 | 0.4 | 10.1039/c5cc05172j | 2015 |
| DLD-1 | 8.1 | 3.2 | 10.1039/c5cc05172j | 2015 |
| PC-3 | 14 | 1.8 | 10.1039/c5cc05172j | 2015 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.