Info
| ID | 1058 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"S": 2, "N": 2, "P": 2} |
| Abbreviation | 2 |
| SMILES | [S-]C1=NCCS1.[S-]C1=NCCS1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C42H38N2P2RuS4/(1-41)(2-39)(3-42)(4-40)(5-46)(6-48)(7-44)(8-43)(9-45)(10-50)(11-49)(12-53)(13-47)(14-51)(15-55)(16-57)(17-61)(18-52)(19-62)(20-64)(21-56)(22-69)(23-69)(24-59)(25-54)(26-60)(27-65)(28-58)(29-68)(30-63)(31-67)(32-66)(33-77)(34-77)(35-78)(36-70)(37-70)(38-78)(39-41)(39-44)(40-42)(40-44)(41-71)(42-71)(43-46)(43-72)(45-48)(45-72)(46-47)(47-48)(49-50)(49-52)(50-73)(51-52)(51-53)(53-73)(54-55)(54-56)(55-57)(56-61)(57-74)(58-59)(58-60)(59-62)(60-64)(61-74)(62-75)(63-65)(63-67)(64-75)(65-76)(66-67)(66-68)(68-76)(69-78)(69-81)(70-77)(70-82)(71-83)(72-83)(73-83)(74-84)(75-84)(76-84)(77-87)(78-88)(79-82)(79-85)(79-87)(80-81)(80-86)(80-88)(81-89)(82-89)(83-89)(84-89)(87-89)(88-89)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 0.98 | — | 10.1016/j.jinorgbio.2015.12.02... | 2016 |
| DU-145 | 4.9 | — | 10.1016/j.jinorgbio.2015.12.02... | 2016 |
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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