Info
| ID | 4546 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 1 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1 |
TUCAN
C38H35N3Ru/(1-48)(2-41)(3-49)(4-37)(5-37)(6-37)(7-38)(8-54)(9-53)(10-42)(11-39)(12-68)(13-50)(14-57)(15-51)(16-43)(17-59)(18-52)(19-40)(20-60)(21-67)(22-58)(23-45)(24-61)(25-56)(26-36)(27-46)(28-36)(29-36)(30-38)(31-44)(32-66)(33-47)(34-38)(35-55)(36-62)(37-66)(38-66)(39-43)(39-53)(40-64)(40-70)(41-42)(41-65)(42-69)(43-71)(44-46)(44-62)(45-48)(45-54)(46-63)(47-55)(47-63)(48-50)(49-64)(49-67)(50-72)(51-52)(51-69)(52-65)(53-68)(54-57)(55-62)(56-59)(56-60)(57-72)(58-59)(58-73)(60-61)(61-73)(63-66)(64-65)(67-76)(68-75)(69-74)(70-71)(70-76)(71-75)(72-74)(73-74)(75-77)(76-77)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 5.1 | — | 10.1002/aoc.5171 | 2019 |
| A549 | 5.7 | — | 10.1002/aoc.5171 | 2019 |
| HeLa | 9.2 | — | 10.1002/aoc.5171 | 2019 |
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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