Info
| ID | 2128 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "O": 1, "P": 2} |
| Abbreviation | 1 |
| SMILES | CCN/C([S-])=N\N=C\c1ccccc1O.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C47H42N3O2P2RuS/(1-45)(2-44)(3-46)(4-49)(5-51)(6-50)(7-56)(8-52)(9-55)(10-76)(11-47)(12-48)(13-58)(14-53)(15-57)(16-59)(17-60)(18-61)(19-62)(20-63)(21-65)(22-64)(23-54)(24-80)(25-80)(26-43)(27-79)(28-66)(29-67)(30-68)(31-69)(32-70)(33-71)(34-77)(35-74)(36-72)(37-73)(38-43)(39-75)(40-43)(41-90)(42-94)(43-80)(44-45)(44-47)(45-83)(46-47)(46-51)(48-49)(48-50)(49-56)(50-57)(51-83)(52-53)(52-60)(53-58)(54-55)(54-78)(55-76)(56-84)(57-84)(58-62)(59-63)(59-64)(60-85)(61-63)(61-66)(62-85)(64-86)(65-67)(65-71)(66-86)(67-87)(68-69)(68-87)(69-71)(70-72)(70-77)(72-88)(73-74)(73-88)(74-77)(75-76)(75-82)(78-79)(78-82)(79-91)(80-90)(81-93)(82-94)(83-95)(84-95)(85-95)(86-96)(87-96)(88-96)(89-90)(89-92)(89-97)(91-92)(91-98)(92-98)(94-98)(95-98)(96-98)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 19 | — | 10.1016/j.jorganchem.2014.04.0... | 2014 |
| A549 | 20 | — | 10.1016/j.jorganchem.2014.04.0... | 2014 |
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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