Info
| ID | 3703 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1b |
| SMILES | CN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1ccc(-c2ccccn2)nc1 |
TUCAN
C33H28N6Ru/(1-29)(2-36)(3-40)(4-46)(5-38)(6-30)(7-53)(8-49)(9-37)(10-51)(11-52)(12-31)(13-44)(14-49)(15-45)(16-42)(17-39)(18-49)(19-54)(20-50)(21-41)(22-50)(23-34)(24-35)(25-50)(26-43)(27-32)(28-33)(29-30)(29-55)(30-31)(31-51)(32-33)(32-42)(33-52)(34-35)(34-53)(35-36)(36-56)(37-41)(37-44)(38-40)(38-47)(39-48)(39-57)(40-58)(41-60)(42-61)(43-48)(43-59)(44-54)(45-46)(45-47)(46-58)(47-48)(49-63)(50-63)(51-66)(52-67)(53-62)(54-64)(55-61)(55-66)(56-57)(56-62)(57-65)(58-63)(59-60)(59-65)(60-64)(61-67)(64-68)(65-68)(66-68)(67-68)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 32 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| A375 | 64 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HK-2 | 1.3e+02 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| MCF-7 | 1.5e+02 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HepG2 | — | — | 10.1016/j.biomaterials.2017.03... | 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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