Info
| ID | 3698 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2a |
| SMILES | [Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12 |
TUCAN
C34H23N7Ru/(1-24)(2-32)(3-30)(4-34)(5-40)(6-27)(7-37)(8-38)(9-31)(10-45)(11-35)(12-36)(13-29)(14-48)(15-26)(16-47)(17-46)(18-25)(19-57)(20-39)(21-33)(22-28)(23-60)(24-29)(24-30)(25-28)(25-45)(26-27)(26-44)(27-46)(28-43)(29-35)(30-42)(31-33)(31-51)(32-36)(32-39)(33-40)(34-41)(34-49)(35-38)(36-56)(37-41)(37-50)(38-42)(39-47)(40-48)(41-42)(43-53)(43-54)(44-52)(44-55)(45-61)(46-58)(47-64)(48-59)(49-56)(49-63)(50-51)(50-63)(51-59)(52-53)(52-58)(53-61)(54-55)(54-62)(55-60)(56-64)(57-60)(57-62)(61-65)(62-65)(63-65)(64-65)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 52 | — | 10.1039/c4cc07926d | 2015 |
| A375 | 61 | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| MCF-7 | — | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HepG2 | — | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| A549 | — | — | 10.1016/j.biomaterials.2017.03... | 2017 |
| HK-2 | — | — | 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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