Info
| ID | 1189 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"P": 1, "S": 1, "N": 6} |
| Abbreviation | [1]Cl |
| SMILES | COc1ccc(P(=S)([S-])N2CCOCC2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1 |
TUCAN
C44H38N6O2PRuS2/(1-59)(2-66)(3-44)(4-39)(5-40)(6-43)(7-60)(8-41)(9-67)(10-56)(11-68)(12-79)(13-55)(14-68)(15-69)(16-79)(17-69)(18-63)(19-45)(20-57)(21-49)(22-61)(23-46)(24-42)(25-53)(26-51)(27-78)(28-78)(29-80)(30-80)(31-47)(32-58)(33-54)(34-48)(35-50)(36-52)(37-78)(38-62)(39-43)(39-70)(40-44)(40-64)(41-44)(41-59)(42-50)(42-73)(43-64)(45-46)(45-48)(46-66)(47-61)(47-71)(48-72)(49-54)(49-74)(50-65)(51-53)(51-60)(52-54)(52-67)(53-58)(55-62)(55-82)(56-63)(56-81)(57-61)(57-76)(58-65)(59-75)(60-77)(62-81)(63-82)(64-75)(65-77)(66-83)(67-88)(68-80)(68-84)(69-79)(69-84)(70-73)(70-85)(71-72)(71-87)(72-83)(73-86)(74-76)(74-88)(75-85)(76-87)(77-86)(78-90)(79-89)(80-89)(81-90)(82-91)(84-91)(85-94)(86-94)(87-94)(88-94)(89-94)(90-94)(91-92)(91-93)(91-94)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 48 | — | 10.1021/jacs.8b08695 | 2018 |
| HEK293 | 78 | — | 10.1021/jacs.8b08695 | 2018 |
| HEK293 | 3e+02 | — | 10.1021/jacs.8b08695 | 2018 |
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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