Info
| ID | 3236 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru(II) complex 1 |
| SMILES | CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1 |
TUCAN
C38H39N11Ru/(1-40)(2-46)(3-40)(4-42)(5-44)(6-63)(7-50)(8-62)(9-43)(10-43)(11-57)(12-47)(13-54)(14-53)(15-60)(16-52)(17-48)(18-44)(19-58)(20-40)(21-64)(22-64)(23-65)(24-41)(25-41)(26-45)(27-43)(28-45)(29-42)(30-44)(31-59)(32-42)(33-51)(34-45)(35-56)(36-55)(37-49)(38-65)(39-41)(40-64)(41-65)(42-72)(43-71)(44-70)(45-74)(46-54)(46-66)(47-54)(47-67)(48-49)(48-57)(49-62)(50-56)(50-68)(51-70)(51-71)(52-53)(52-61)(53-69)(55-56)(55-63)(57-73)(58-72)(58-74)(59-60)(59-61)(60-69)(61-75)(62-78)(63-86)(64-81)(65-81)(66-73)(66-85)(67-68)(67-85)(68-86)(69-81)(70-83)(71-88)(72-84)(73-78)(74-82)(75-79)(75-87)(76-80)(76-83)(76-87)(77-79)(77-80)(77-84)(82-84)(83-88)(85-89)(86-89)(87-89)(88-89)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 2.1 | — | 10.1016/j.ejmech.2018.07.048 | 2018 |
| HCT-116 | 2.6 | — | 10.1016/j.ejmech.2018.07.048 | 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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