Info
| ID | 1163 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6, "O": 2} |
| Abbreviation | 15 |
| SMILES | CC(=N)NCCO.CC(=N)NCCO.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-] |
TUCAN
C28H40N6O4Ru/(1-61)(2-52)(3-51)(4-43)(5-52)(6-45)(7-41)(8-65)(9-57)(10-54)(11-51)(12-47)(13-54)(14-50)(15-41)(16-41)(17-65)(18-59)(19-46)(20-53)(21-58)(22-44)(23-48)(24-62)(25-53)(26-49)(27-59)(28-42)(29-42)(30-60)(31-66)(32-66)(33-42)(34-60)(35-71)(36-69)(37-70)(38-72)(39-77)(40-78)(41-63)(42-64)(43-45)(43-46)(44-46)(44-55)(45-67)(47-50)(47-68)(48-49)(48-50)(49-56)(51-52)(51-53)(52-61)(53-54)(54-62)(55-57)(55-67)(56-58)(56-68)(57-73)(58-74)(59-65)(59-70)(60-66)(60-69)(61-62)(61-73)(62-74)(63-69)(63-71)(64-70)(64-72)(65-77)(66-78)(67-75)(68-76)(71-79)(72-79)(73-79)(74-79)(77-79)(78-79)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1039/c7sc02205k | 2017 |
| A549 | — | — | 10.1039/c7sc02205k | 2017 |
| MCF-7 | — | — | 10.1039/c7sc02205k | 2017 |
| HepG2 | — | — | 10.1039/c7sc02205k | 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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