Info
| ID | 1233 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 2, "P": 1, "O": 1} |
| Abbreviation | 1 |
| SMILES | C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1 |
TUCAN
C36H44N3O4PRu/(1-55)(2-54)(3-48)(4-49)(5-56)(6-57)(7-47)(8-47)(9-51)(10-47)(11-69)(12-50)(13-45)(14-53)(15-45)(16-45)(17-46)(18-78)(19-73)(20-59)(21-63)(22-58)(23-61)(24-60)(25-64)(26-52)(27-62)(28-71)(29-78)(30-70)(31-73)(32-80)(33-46)(34-71)(35-72)(36-79)(37-70)(38-72)(39-80)(40-46)(41-79)(42-70)(43-86)(44-87)(45-69)(46-69)(47-65)(48-49)(48-67)(49-74)(50-51)(50-66)(51-65)(52-53)(52-65)(53-66)(54-55)(54-75)(55-67)(56-57)(56-67)(57-74)(58-62)(58-77)(59-61)(59-68)(60-64)(60-68)(61-76)(62-68)(63-75)(63-77)(64-76)(66-69)(70-83)(71-81)(71-83)(72-82)(72-83)(73-81)(73-82)(74-86)(75-84)(76-87)(77-85)(78-81)(78-88)(79-82)(79-88)(80-83)(80-88)(86-89)(87-89)(88-89)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 90 | — | 10.1002/ejic.201700183 | 2017 |
| A2780cisR | 93 | — | 10.1002/ejic.201700183 | 2017 |
| A2780cisR | 1.1e+02 | — | 10.1002/ejic.201700183 | 2017 |
| HEK293 | 1.1e+02 | — | 10.1002/ejic.201700183 | 2017 |
| A2780 | 1.2e+02 | — | 10.1002/ejic.201700183 | 2017 |
| A2780 | 1.4e+02 | — | 10.1002/ejic.201700183 | 2017 |
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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