Info
| ID | 622 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | RuBCH |
| SMILES | COc1cc(/C=C/C(=C/C(/C=C/c2ccc(O)c(OC)c2)=N/NC(=O)c2ccc(Br)cc2)[N-]NC(=O)c2ccc(Br)cc2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C45H43Br2N4O6Ru/(1-44)(2-57)(3-51)(4-80)(5-79)(6-79)(7-80)(8-62)(9-68)(10-58)(11-44)(12-44)(13-47)(14-45)(15-46)(16-63)(17-54)(18-53)(19-45)(20-49)(21-60)(22-65)(23-76)(24-48)(25-46)(26-64)(27-55)(28-45)(29-50)(30-59)(31-61)(32-69)(33-79)(34-46)(35-52)(36-80)(37-66)(38-56)(39-67)(40-89)(41-90)(42-97)(43-95)(44-76)(45-70)(46-76)(47-48)(47-71)(48-70)(49-50)(49-71)(50-70)(51-52)(51-87)(52-72)(53-57)(53-88)(54-65)(54-73)(55-61)(55-84)(56-62)(56-72)(57-74)(58-73)(58-81)(59-60)(59-74)(60-88)(61-73)(62-87)(63-64)(63-75)(64-82)(65-78)(66-77)(66-78)(67-68)(67-77)(68-75)(69-75)(69-83)(71-76)(72-86)(74-85)(77-92)(78-91)(79-96)(80-98)(81-84)(81-96)(82-83)(82-95)(83-98)(84-97)(85-89)(85-94)(86-90)(86-93)(87-100)(88-99)(89-91)(90-92)(91-101)(92-101)(97-101)(98-101)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 14 | — | 10.1016/j.ica.2024.121997 | 2024 |
| A549 | 14 | — | 10.1016/j.ica.2024.121997 | 2024 |
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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