Info
| ID | 3314 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C42H28N6Ru/(1-50)(2-40)(3-36)(4-59)(5-39)(6-30)(7-35)(8-42)(9-29)(10-31)(11-37)(12-60)(13-33)(14-43)(15-34)(16-52)(17-61)(18-38)(19-62)(20-32)(21-45)(22-46)(23-41)(24-49)(25-47)(26-44)(27-51)(28-48)(29-30)(29-53)(30-59)(31-37)(31-60)(32-38)(32-61)(33-34)(33-35)(34-40)(35-63)(36-47)(36-53)(37-54)(38-55)(39-45)(39-54)(40-56)(41-43)(41-49)(42-50)(42-56)(43-64)(44-46)(44-58)(45-55)(46-62)(47-58)(48-52)(48-57)(49-51)(50-65)(51-57)(52-70)(53-66)(54-67)(55-68)(56-63)(57-64)(58-69)(59-73)(60-74)(61-75)(62-76)(63-71)(64-72)(65-70)(65-71)(66-69)(66-73)(67-68)(67-74)(68-75)(69-76)(70-72)(71-77)(72-77)(73-77)(74-77)(75-77)(76-77)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HL60 | 52 | 1.2 | 10.1039/c2cc33359g | 2012 |
| HL60 | 52 | 14 | 10.1039/c2cc33359g | 2012 |
| HL60 | 52 | 7.6 | 10.1039/c2cc33359g | 2012 |
| HL60 | 52 | 16 | 10.1039/c2cc33359g | 2012 |
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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