Info
| ID | 389 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4, "P": 2} |
| Abbreviation | 4 |
| SMILES | Cn1c([NH-])c(/N=C/c2ccsc2)c(=O)n(C)c1=O.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C47H41N4O2P2RuS/(1-44)(2-42)(3-46)(4-48)(5-52)(6-43)(7-47)(8-45)(9-53)(10-51)(11-49)(12-50)(13-54)(14-56)(15-57)(16-55)(17-58)(18-63)(19-60)(20-74)(21-74)(22-87)(23-88)(24-74)(25-65)(26-64)(27-59)(28-66)(29-61)(30-67)(31-62)(32-68)(33-71)(34-70)(35-69)(36-72)(37-75)(38-75)(39-75)(40-76)(41-91)(42-44)(42-81)(43-44)(43-46)(45-46)(45-81)(47-48)(47-52)(48-49)(49-82)(50-52)(50-82)(51-53)(51-55)(53-54)(54-83)(55-56)(56-83)(57-58)(57-84)(58-63)(59-60)(59-84)(60-63)(61-65)(61-85)(62-66)(62-85)(64-65)(64-66)(67-68)(67-71)(68-86)(69-70)(69-86)(70-71)(72-73)(72-88)(73-76)(73-87)(74-89)(75-90)(76-92)(77-78)(77-79)(77-92)(78-90)(78-91)(79-89)(79-94)(80-89)(80-90)(80-93)(81-95)(82-95)(83-95)(84-96)(85-96)(86-96)(87-97)(88-97)(91-98)(92-98)(95-98)(96-98)(97-98)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCC70 | 3.4 | — | 10.1016/j.poly.2020.114569 | 2020 |
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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