Info
| ID | 339 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru1 |
| SMILES | O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C41H36FN9O2Ru/(1-39)(2-37)(3-59)(4-60)(5-42)(6-40)(7-62)(8-67)(9-53)(10-38)(11-41)(12-63)(13-45)(14-54)(15-55)(16-66)(17-66)(18-64)(19-55)(20-65)(21-67)(22-56)(23-61)(24-48)(25-51)(26-46)(27-47)(28-44)(29-56)(30-49)(31-54)(32-43)(33-50)(34-52)(35-79)(36-88)(37-38)(37-39)(38-68)(39-59)(40-41)(40-50)(41-69)(42-48)(42-60)(43-44)(43-57)(44-61)(45-57)(45-74)(46-48)(46-70)(47-51)(47-73)(49-53)(49-58)(50-62)(51-52)(52-63)(53-65)(54-55)(54-56)(55-66)(56-67)(57-71)(58-72)(58-74)(59-81)(60-82)(61-85)(62-83)(63-84)(64-77)(64-80)(65-78)(66-80)(67-79)(68-69)(68-81)(69-83)(70-73)(70-82)(71-72)(71-85)(72-78)(73-84)(74-79)(75-77)(75-86)(75-88)(76-80)(76-86)(76-87)(77-89)(81-90)(82-90)(83-90)(84-90)(85-90)(86-90)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 58 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| MCF-7 | 69 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| KYSE-140 | 70 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| HepG2 | 71 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| HeLa | 83 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| Caco-2 | 87 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| LO2 | 1.1e+02 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
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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