Info
| ID | 3995 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 2, "N": 2, "P": 1} |
| Abbreviation | RuZ3a |
| SMILES | Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C38H27Cl4N2O2PRu/(1-36)(2-33)(3-37)(4-38)(5-30)(6-31)(7-39)(8-35)(9-28)(10-50)(11-41)(12-32)(13-34)(14-46)(15-47)(16-44)(17-43)(18-28)(19-48)(20-45)(21-40)(22-42)(23-28)(24-29)(25-29)(26-29)(27-49)(28-53)(29-56)(30-33)(30-38)(31-37)(31-38)(32-39)(32-40)(33-59)(34-40)(34-41)(35-43)(35-51)(36-62)(36-63)(37-59)(39-60)(41-60)(42-44)(42-45)(43-53)(44-46)(45-47)(46-61)(47-61)(48-50)(48-56)(49-64)(49-65)(50-52)(51-54)(51-63)(52-55)(52-64)(53-66)(54-57)(54-66)(55-58)(55-67)(56-67)(57-62)(57-68)(58-65)(58-69)(59-70)(60-70)(61-70)(62-72)(63-71)(64-73)(65-74)(66-75)(67-75)(70-75)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SK-OV-3cisR | 7.2 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| SK-OV-3 | 8.7 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| HL-7702 | — | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
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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