Info
| ID | 4823 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ru1 |
| SMILES | CCc1cccc(CC)c1/N=C(\C)C(C)([N-]c1c(CC)cccc1CC)C(=O)OC.Cc1ccc(C(C)C)cc1 |
TUCAN
C36H49N2O2Ru/(1-70)(2-50)(3-70)(4-84)(5-72)(6-60)(7-51)(8-51)(9-65)(10-51)(11-72)(12-55)(13-79)(14-50)(15-53)(16-53)(17-50)(18-53)(19-55)(20-67)(21-59)(22-55)(23-52)(24-69)(25-69)(26-71)(27-71)(28-62)(29-57)(30-57)(31-63)(32-64)(33-52)(34-52)(35-56)(36-56)(37-56)(38-58)(39-58)(40-84)(41-61)(42-66)(43-68)(44-84)(45-58)(46-54)(47-54)(48-57)(49-54)(50-74)(51-79)(52-69)(53-70)(54-71)(55-79)(56-83)(57-80)(58-72)(59-60)(59-74)(60-73)(61-67)(61-74)(62-63)(62-75)(63-64)(64-77)(65-66)(65-76)(66-68)(67-73)(68-78)(69-75)(70-76)(71-77)(72-78)(73-79)(75-81)(76-82)(77-81)(78-82)(80-83)(80-86)(81-86)(82-87)(83-85)(83-87)(84-89)(85-88)(85-89)(86-90)(87-90)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 19 | — | 10.1021/acs.organomet.1c00572 | 2021 |
| BEAS-2B | 19 | — | 10.1021/acs.organomet.1c00572 | 2021 |
| A549 | 32 | — | 10.1021/acs.organomet.1c00572 | 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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