Info
| ID | 1133 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 4 |
| SMILES | COc1ccc2nc(-n3cccn3)c(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2c1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C32H30BF2N5ORu/(1-35)(2-32)(3-53)(4-40)(5-42)(6-34)(7-32)(8-36)(9-32)(10-54)(11-33)(12-34)(13-41)(14-44)(15-33)(16-39)(17-37)(18-33)(19-43)(20-55)(21-34)(22-56)(23-38)(24-62)(25-46)(26-45)(27-62)(28-62)(29-57)(30-47)(31-64)(31-65)(31-70)(31-71)(32-53)(33-53)(34-52)(35-36)(35-48)(36-52)(37-39)(37-48)(38-49)(38-63)(39-52)(40-49)(40-51)(41-42)(41-54)(42-58)(43-44)(43-59)(44-55)(45-56)(45-57)(46-47)(46-60)(47-63)(48-53)(49-60)(50-51)(50-58)(50-59)(51-61)(54-64)(55-65)(56-68)(57-66)(58-64)(59-65)(60-67)(61-66)(61-67)(62-69)(63-69)(66-68)(67-72)(68-72)(69-72)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| U-87 MG | — | 13 | 10.1039/c8dt02947d | 2018 |
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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