Info
| ID | 1736 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "O": 1, "P": 2} |
| Abbreviation | 1a |
| SMILES | CN/C([S-])=N\N=C\c1c(O)ccc2ccccc12.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C50H42N3O2P2RuS/(1-44)(2-43)(3-46)(4-50)(5-47)(6-53)(7-54)(8-48)(9-56)(10-49)(11-82)(12-83)(13-45)(14-52)(15-58)(16-51)(17-57)(18-55)(19-62)(20-63)(21-60)(22-59)(23-61)(24-82)(25-82)(26-64)(27-69)(28-70)(29-72)(30-71)(31-74)(32-66)(33-75)(34-73)(35-65)(36-68)(37-76)(38-77)(39-78)(40-67)(41-93)(42-97)(43-44)(43-45)(44-86)(45-46)(46-47)(47-86)(48-50)(48-87)(49-53)(49-87)(50-52)(51-54)(51-88)(52-53)(54-58)(55-56)(55-88)(56-58)(57-59)(57-62)(59-60)(60-63)(61-66)(61-69)(62-89)(63-89)(64-66)(64-70)(65-67)(65-80)(67-68)(68-76)(69-90)(70-90)(71-72)(71-91)(72-75)(73-74)(73-91)(74-75)(76-81)(77-78)(77-81)(78-85)(79-80)(79-83)(79-85)(80-81)(82-93)(83-94)(84-96)(85-97)(86-98)(87-98)(88-98)(89-99)(90-99)(91-99)(92-93)(92-95)(92-100)(94-95)(94-101)(95-101)(97-101)(98-101)(99-101)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 16 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
| A549 | 18 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
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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