Info
| ID | 1116 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 2, "P": 1} |
| Abbreviation | 6 |
| SMILES | COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.C[N+]12CN3CN(CP(C3)C1)C2.Cc1c(C)c(C)c(C)c(C)c1C |
TUCAN
C39H54N3O3PRu/(1-55)(2-55)(3-55)(4-84)(5-56)(6-56)(7-56)(8-57)(9-92)(10-91)(11-91)(12-85)(13-85)(14-93)(15-93)(16-92)(17-84)(18-58)(19-58)(20-58)(21-67)(22-72)(23-64)(24-87)(25-87)(26-87)(27-65)(28-66)(29-62)(30-62)(31-57)(32-57)(33-59)(34-59)(35-59)(36-60)(37-60)(38-60)(39-61)(40-61)(41-61)(42-62)(43-63)(44-63)(45-69)(46-70)(47-63)(48-68)(49-71)(50-86)(51-86)(52-83)(53-83)(54-83)(55-73)(56-74)(57-75)(58-82)(59-76)(60-77)(61-78)(62-82)(63-82)(64-65)(64-89)(65-80)(66-67)(66-79)(67-81)(68-69)(68-80)(69-89)(70-71)(70-81)(71-79)(72-88)(72-90)(73-74)(73-75)(74-76)(75-77)(76-78)(77-78)(79-88)(80-90)(81-82)(83-96)(84-94)(84-96)(85-94)(85-95)(86-95)(86-96)(87-99)(88-97)(89-99)(90-98)(91-94)(91-100)(92-96)(92-100)(93-95)(93-100)(99-101)(100-101)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 2.2 | — | 10.1021/acs.organomet.6b00694 | 2016 |
| A2780 | 2.8 | — | 10.1021/acs.organomet.6b00694 | 2016 |
| A2780cisR | 2.8 | — | 10.1021/acs.organomet.6b00694 | 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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