Info
| ID | 461 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | RuPhBio |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(CCCC[C@H]1SC[C@H]2N=C(O)N[C@H]21)NCCCCCCOC(=O)c1cc2cccnc2c2ncccc12.[Cl-] |
TUCAN
C39H49N5O4RuS/(1-66)(2-66)(3-81)(4-50)(5-50)(6-50)(7-53)(8-68)(9-67)(10-65)(11-65)(12-67)(13-62)(14-60)(15-63)(16-69)(17-55)(18-68)(19-77)(20-83)(21-78)(22-83)(23-82)(24-64)(25-64)(26-69)(27-61)(28-63)(29-76)(30-87)(31-88)(32-54)(33-78)(34-62)(35-87)(36-56)(37-57)(38-51)(39-51)(40-51)(41-52)(42-75)(43-59)(44-52)(45-52)(46-58)(47-91)(48-90)(49-96)(50-72)(51-75)(52-75)(53-55)(53-76)(54-70)(54-71)(55-71)(56-57)(56-72)(57-73)(58-59)(58-73)(59-72)(60-61)(60-74)(61-77)(62-63)(62-83)(63-68)(64-65)(64-67)(65-84)(66-67)(66-88)(68-69)(69-78)(70-74)(70-86)(71-79)(73-75)(74-80)(76-92)(77-89)(78-90)(79-80)(79-92)(80-89)(81-82)(81-87)(81-93)(82-88)(82-91)(83-97)(84-90)(84-94)(85-91)(85-93)(85-96)(86-95)(86-97)(87-98)(88-98)(92-99)(93-99)(96-99)(97-99)(98-99)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.2e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| A549 | 1.7e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| B16-F10 | 3.9e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| U373 | 5.3e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.