Info
| ID | 4181 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 2, "P": 1} |
| Abbreviation | 1 |
| SMILES | COc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(OC)cc2[O-])c([O-])c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H43N2O4PRu/(1-48)(2-46)(3-44)(4-56)(5-75)(6-45)(7-49)(8-75)(9-57)(10-50)(11-52)(12-47)(13-51)(14-59)(15-53)(16-66)(17-66)(18-65)(19-62)(20-61)(21-68)(22-71)(23-75)(24-71)(25-68)(26-76)(27-76)(28-65)(29-73)(30-74)(31-76)(32-60)(33-55)(34-58)(35-63)(36-67)(37-72)(38-54)(39-72)(40-67)(41-64)(42-84)(43-85)(44-46)(44-48)(45-48)(45-49)(46-81)(47-50)(47-51)(49-81)(50-82)(51-53)(52-53)(52-82)(54-55)(54-58)(55-59)(56-77)(56-79)(57-78)(57-80)(58-60)(59-83)(60-83)(61-62)(61-79)(62-69)(63-64)(63-70)(64-80)(65-66)(65-73)(66-68)(67-68)(67-74)(69-71)(69-77)(70-72)(70-78)(71-84)(72-85)(73-74)(73-84)(74-85)(75-88)(76-89)(77-86)(78-87)(79-88)(80-89)(81-90)(82-90)(83-90)(88-91)(89-91)(90-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 3.3 | — | 10.1016/j.ica.2012.09.026 | 2013 |
| MCF-7 | 8.5 | — | 10.1016/j.ica.2012.09.026 | 2013 |
| MDA-MB-231 | 27 | — | 10.1016/j.ica.2012.09.026 | 2013 |
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.