Info
| ID | 3709 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 4b |
| SMILES | CN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 |
TUCAN
C42H32N8Ru/(1-50)(2-45)(3-37)(4-46)(5-40)(6-36)(7-33)(8-52)(9-62)(10-49)(11-53)(12-59)(13-59)(14-59)(15-48)(16-42)(17-51)(18-35)(19-34)(20-47)(21-39)(22-38)(23-63)(24-41)(25-64)(26-61)(27-43)(28-44)(29-60)(30-60)(31-60)(32-77)(33-35)(33-55)(34-38)(34-55)(35-37)(36-50)(36-57)(37-38)(39-40)(39-70)(40-56)(41-58)(41-68)(42-43)(42-62)(43-47)(44-48)(44-70)(45-53)(45-64)(46-53)(46-72)(47-69)(48-56)(49-51)(49-63)(50-61)(51-54)(52-58)(52-73)(54-65)(54-66)(55-74)(56-58)(57-67)(57-71)(59-78)(60-78)(61-76)(62-75)(63-79)(64-81)(65-67)(65-79)(66-71)(66-80)(67-76)(68-69)(68-82)(69-75)(70-78)(71-77)(72-73)(72-81)(73-82)(74-77)(74-80)(79-83)(80-83)(81-83)(82-83)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 1.3e+02 | — | 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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