Info
| ID | 1115 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 2, "P": 1} |
| Abbreviation | 5 |
| SMILES | COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccc(C(C)C)cc1 |
TUCAN
C37H50N3O3PRu/(1-55)(2-57)(3-58)(4-85)(5-86)(6-55)(7-53)(8-78)(9-55)(10-53)(11-86)(12-80)(13-77)(14-80)(15-87)(16-87)(17-85)(18-61)(19-65)(20-60)(21-69)(22-67)(23-59)(24-81)(25-81)(26-81)(27-68)(28-66)(29-53)(30-54)(31-54)(32-63)(33-62)(34-75)(35-54)(36-51)(37-51)(38-51)(39-64)(40-52)(41-52)(42-52)(43-56)(44-56)(45-78)(46-77)(47-79)(48-79)(49-77)(50-56)(51-76)(52-76)(53-75)(54-75)(55-70)(56-76)(57-58)(57-73)(58-70)(59-60)(59-71)(60-72)(61-65)(61-83)(62-63)(62-70)(63-73)(64-69)(64-71)(65-74)(66-82)(66-84)(67-68)(67-74)(68-83)(69-72)(71-76)(72-82)(73-75)(74-84)(77-90)(78-88)(78-90)(79-89)(79-90)(80-88)(80-89)(81-93)(82-91)(83-93)(84-92)(85-90)(85-94)(86-88)(86-94)(87-89)(87-94)(93-95)(94-95)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.7 | — | 10.1021/acs.organomet.6b00694 | 2016 |
| A2780cisR | 0.7 | — | 10.1021/acs.organomet.6b00694 | 2016 |
| HEK293 | 1.5 | — | 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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