Info
| ID | 1249 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "P": 1} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.O=S(=O)([O-])c1ccccc1P(C1CCCCC1)C1CCCCC1.[Cl-] |
TUCAN
C28H40O3PRuS/(1-52)(2-50)(3-66)(4-52)(5-51)(6-41)(7-45)(8-44)(9-41)(10-55)(11-53)(12-55)(13-57)(14-57)(15-48)(16-49)(17-53)(18-54)(19-56)(20-54)(21-61)(22-60)(23-56)(24-58)(25-58)(26-59)(27-59)(28-67)(29-60)(30-61)(31-42)(32-41)(33-64)(34-42)(35-42)(36-47)(37-43)(38-43)(39-46)(40-43)(41-62)(42-64)(43-64)(44-45)(44-62)(45-63)(46-47)(46-63)(47-62)(48-49)(48-65)(49-50)(50-51)(51-68)(52-55)(52-66)(53-56)(53-66)(54-58)(54-67)(55-57)(56-57)(58-61)(59-60)(59-61)(60-67)(63-64)(65-68)(65-72)(66-72)(67-72)(68-73)(69-73)(70-73)(71-73)(72-74)(73-74)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 34 | — | 10.1016/j.dyepig.2018.11.009 | 2018 |
| 16HBE | 40 | — | 10.1016/j.dyepig.2018.11.009 | 2018 |
| HeLa | 53 | — | 10.1016/j.dyepig.2018.11.009 | 2018 |
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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