Info
| ID | 4381 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2e |
| SMILES | [c-]1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1/C=N/c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C49H37N6RuS/(1-56)(2-41)(3-40)(4-45)(5-44)(6-51)(7-52)(8-57)(9-60)(10-61)(11-65)(12-58)(13-72)(14-54)(15-39)(16-48)(17-69)(18-47)(19-66)(20-59)(21-42)(22-43)(23-67)(24-63)(25-73)(26-49)(27-70)(28-68)(29-55)(30-64)(31-75)(32-74)(33-53)(34-62)(35-76)(36-46)(37-50)(38-46)(38-85)(39-41)(39-77)(40-41)(40-72)(42-44)(42-78)(43-55)(43-79)(44-54)(45-58)(45-82)(46-86)(47-48)(47-81)(48-71)(49-50)(49-81)(50-71)(51-57)(51-80)(52-61)(52-80)(53-62)(53-84)(54-73)(55-63)(56-57)(56-61)(58-59)(59-67)(60-65)(60-66)(62-64)(63-74)(64-76)(65-69)(66-70)(67-68)(68-82)(69-83)(70-83)(71-86)(72-88)(73-89)(74-91)(75-85)(75-90)(76-92)(77-78)(77-88)(78-89)(79-84)(79-91)(80-87)(81-87)(82-90)(83-87)(84-92)(85-93)(86-93)(88-94)(89-94)(90-94)(91-94)(92-94)(93-94)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 0.29 | — | 10.1016/j.jorganchem.2025.1237... | 2025 |
| A2780 | 0.3 | — | 10.1016/j.jorganchem.2025.1237... | 2025 |
| HEK293 | 0.45 | — | 10.1016/j.jorganchem.2025.1237... | 2025 |
| A549 | 0.47 | — | 10.1016/j.jorganchem.2025.1237... | 2025 |
| MCF-7 | 0.56 | — | 10.1016/j.jorganchem.2025.1237... | 2025 |
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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