Info
| ID | 4182 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 2, "N": 2, "P": 1} |
| Abbreviation | 2 |
| SMILES | COc1ccc([O-])c(CN[C@H]2CCCC[C@@H]2NCc2cc(OC)ccc2[O-])c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H43N2O4PRu/(1-48)(2-46)(3-44)(4-56)(5-58)(6-49)(7-45)(8-47)(9-50)(10-52)(11-60)(12-57)(13-75)(14-54)(15-51)(16-65)(17-65)(18-67)(19-62)(20-63)(21-66)(22-71)(23-75)(24-71)(25-66)(26-75)(27-76)(28-67)(29-73)(30-74)(31-76)(32-61)(33-55)(34-59)(35-64)(36-68)(37-72)(38-53)(39-72)(40-68)(41-76)(42-84)(43-85)(44-46)(44-48)(45-48)(45-49)(46-81)(47-50)(47-51)(49-81)(50-82)(51-54)(52-54)(52-82)(53-55)(53-59)(55-60)(56-69)(56-78)(57-58)(57-77)(58-78)(59-61)(60-83)(61-83)(62-63)(62-80)(63-79)(64-70)(64-79)(65-66)(65-67)(66-68)(67-73)(68-74)(69-71)(69-77)(70-72)(70-80)(71-84)(72-85)(73-74)(73-84)(74-85)(75-88)(76-89)(77-86)(78-88)(79-89)(80-87)(81-90)(82-90)(83-90)(88-91)(89-91)(90-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 3.9 | — | 10.1016/j.ica.2012.09.026 | 2013 |
| A2780 | 4.4 | — | 10.1016/j.ica.2012.09.026 | 2013 |
| MDA-MB-231 | 14 | — | 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.