Info
| ID | 340 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2 |
| SMILES | O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C45H36FN9O2Ru/(1-38)(2-37)(3-41)(4-63)(5-42)(6-64)(7-47)(8-44)(9-65)(10-67)(11-66)(12-56)(13-54)(14-70)(15-70)(16-69)(17-54)(18-40)(19-39)(20-43)(21-71)(22-55)(23-45)(24-46)(25-48)(26-52)(27-51)(28-68)(29-55)(30-56)(31-71)(32-53)(33-50)(34-49)(35-83)(36-92)(37-39)(37-57)(38-41)(38-57)(39-58)(40-42)(40-58)(41-63)(42-64)(43-44)(43-59)(44-66)(45-59)(45-76)(46-51)(46-61)(47-48)(47-65)(48-61)(49-50)(49-68)(50-62)(51-62)(52-53)(52-60)(53-67)(54-56)(54-70)(55-56)(55-71)(57-72)(58-73)(59-75)(60-76)(60-77)(61-74)(62-78)(63-85)(64-86)(65-87)(66-89)(67-82)(68-88)(69-81)(69-84)(70-84)(71-83)(72-73)(72-85)(73-86)(74-78)(74-87)(75-77)(75-89)(76-83)(77-82)(78-88)(79-81)(79-90)(79-92)(80-84)(80-90)(80-91)(81-93)(85-94)(86-94)(87-94)(88-94)(89-94)(90-94)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KYSE-140 | 36 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| A549 | 42 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| HepG2 | 65 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| MCF-7 | 67 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| HeLa | 84 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| Caco-2 | 85 | — | 10.1016/j.jinorgbio.2022.11172... | 2022 |
| LO2 | 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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