Info
| ID | 3446 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2, "P": 1} |
| Abbreviation | Ruthenium complex 1 |
| SMILES | COC(=O)c1ccc(-n2ccnc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C39H39N2O2PRu/(1-46)(2-47)(3-43)(4-50)(5-51)(6-60)(7-44)(8-52)(9-45)(10-55)(11-49)(12-40)(13-40)(14-53)(15-40)(16-54)(17-73)(18-48)(19-61)(20-41)(21-69)(22-65)(23-70)(24-71)(25-62)(26-41)(27-56)(28-57)(29-58)(30-64)(31-41)(32-63)(33-59)(34-42)(35-42)(36-42)(37-74)(38-74)(39-74)(40-68)(41-69)(42-69)(43-46)(43-47)(44-46)(44-50)(45-51)(45-60)(47-76)(48-49)(48-67)(49-68)(50-76)(51-77)(52-55)(52-77)(53-54)(53-72)(54-66)(55-60)(56-58)(56-61)(57-59)(57-61)(58-78)(59-78)(62-65)(62-66)(63-64)(63-67)(64-68)(65-72)(66-75)(67-69)(70-71)(70-80)(71-79)(72-79)(73-79)(73-80)(74-82)(75-81)(75-82)(76-83)(77-83)(78-83)(80-84)(82-84)(83-84)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 2.5 | — | 10.1021/mp300723b | 2013 |
| MCF-7 | 4 | — | 10.1021/mp300723b | 2013 |
| DU-145 | 6.5 | — | 10.1021/mp300723b | 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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