Info
| ID | 614 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | RUSCO-5 |
| SMILES | Cc1cc(C)n(C(C(O)c2ccc3ccccc3n2)n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C31H37N5ORu/(1-50)(2-38)(3-38)(4-53)(5-40)(6-40)(7-40)(8-47)(9-45)(10-39)(11-39)(12-54)(13-41)(14-41)(15-46)(16-60)(17-39)(18-38)(19-52)(20-41)(21-43)(22-67)(23-68)(24-55)(25-42)(26-42)(27-42)(28-43)(29-49)(30-44)(31-44)(32-51)(33-48)(34-44)(35-56)(36-43)(37-74)(38-58)(39-62)(40-60)(41-60)(42-64)(43-66)(44-65)(45-47)(45-57)(46-54)(46-57)(47-58)(48-49)(48-59)(49-61)(50-51)(50-53)(51-59)(52-53)(52-63)(54-58)(55-64)(55-66)(56-62)(56-65)(57-60)(59-63)(61-68)(61-72)(62-73)(63-72)(64-69)(65-70)(66-71)(67-68)(67-70)(67-71)(68-74)(69-71)(70-73)(72-75)(73-75)(74-75)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 15 | — | 10.1016/j.jinorgbio.2024.11248... | 2024 |
| MCF-7 | 16 | — | 10.1016/j.jinorgbio.2024.11248... | 2024 |
| SK-BR-3 | 16 | — | 10.1016/j.jinorgbio.2024.11248... | 2024 |
| BT549 | — | — | 10.1016/j.jinorgbio.2024.11248... | 2024 |
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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