Info
| ID | 4670 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCc1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C33H35ClFN5O2Ru/(1-36)(2-38)(3-56)(4-36)(5-36)(6-37)(7-57)(8-56)(9-39)(10-40)(11-41)(12-42)(13-45)(14-55)(15-38)(16-37)(17-38)(18-37)(19-57)(20-48)(21-64)(22-54)(23-63)(24-63)(25-63)(26-49)(27-44)(28-47)(29-64)(30-43)(31-61)(32-46)(33-50)(34-70)(35-71)(36-54)(37-54)(38-52)(39-40)(39-52)(40-51)(41-42)(41-51)(42-52)(43-44)(43-55)(44-45)(45-58)(46-53)(46-65)(47-60)(47-68)(48-50)(48-60)(49-59)(49-66)(50-67)(51-54)(53-59)(53-62)(55-69)(56-58)(56-70)(57-64)(57-70)(58-69)(59-73)(60-71)(61-72)(61-73)(62-71)(62-72)(63-74)(64-75)(65-66)(65-75)(66-74)(67-68)(67-76)(68-77)(72-78)(73-78)(74-78)(75-78)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 83 | — | 10.1039/c5mt00122f | 2015 |
| A549 | — | — | 10.1039/c5mt00122f | 2015 |
| HeLa | — | — | 10.1039/c5mt00122f | 2015 |
| PC-3 | — | — | 10.1039/c5mt00122f | 2015 |
| A431 | — | — | 10.1039/c5mt00122f | 2015 |
🧬 Cell Death Types (1)
Apoptosis
high
«complex 3 induced a large ratio of A549 cells early-stage apoptosis (56.8%)»
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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