Info
| ID | 1234 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 2, "P": 1} |
| Abbreviation | 3 |
| SMILES | COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccc(C(C)C)cc1 |
TUCAN
C38H48N3O6PRu/(1-53)(2-51)(3-84)(4-85)(5-73)(6-49)(7-84)(8-49)(9-72)(10-86)(11-73)(12-49)(13-50)(14-75)(15-75)(16-50)(17-76)(18-60)(19-57)(20-58)(21-56)(22-74)(23-50)(24-71)(25-54)(26-51)(27-52)(28-51)(29-59)(30-76)(31-66)(32-62)(33-76)(34-77)(35-77)(36-77)(37-65)(38-55)(39-61)(40-63)(41-64)(42-86)(43-72)(44-85)(45-74)(46-72)(47-92)(48-93)(49-71)(50-71)(51-69)(52-53)(52-69)(53-67)(54-59)(54-67)(55-68)(55-79)(56-58)(56-82)(57-60)(57-68)(58-68)(59-69)(60-78)(61-65)(61-80)(62-63)(62-83)(63-70)(64-70)(64-81)(65-70)(66-82)(66-83)(67-71)(72-89)(73-87)(73-89)(74-88)(74-89)(75-87)(75-88)(76-94)(77-95)(78-79)(78-92)(79-94)(80-81)(80-93)(81-95)(82-90)(83-91)(84-87)(84-96)(85-89)(85-96)(86-88)(86-96)(92-97)(93-97)(94-97)(95-97)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 94 | — | 10.1002/ejic.201700183 | 2017 |
| A2780cisR | 1.5e+02 | — | 10.1002/ejic.201700183 | 2017 |
| A2780 | 1.5e+02 | — | 10.1002/ejic.201700183 | 2017 |
| A2780 | 1.5e+02 | — | 10.1002/ejic.201700183 | 2017 |
| HEK293 | 1.7e+02 | — | 10.1002/ejic.201700183 | 2017 |
| A2780cisR | 1.8e+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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