Info
| ID | 4232 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | O=C(/C=C/c1ccc(Cl)cc1)c1ccccn1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1 |
TUCAN
C33H22ClN6ORu/(1-30)(2-28)(3-24)(4-44)(5-31)(6-39)(7-36)(8-38)(9-25)(10-23)(11-34)(12-40)(13-42)(14-29)(15-33)(16-27)(17-35)(18-41)(19-37)(20-32)(21-26)(22-58)(23-27)(23-46)(24-27)(24-45)(25-36)(25-55)(26-41)(26-55)(28-30)(28-33)(29-31)(29-34)(30-48)(31-32)(32-47)(33-35)(34-49)(35-50)(36-43)(37-42)(37-51)(38-39)(38-43)(39-54)(40-42)(40-44)(41-43)(44-61)(45-53)(45-56)(46-52)(46-56)(47-49)(47-57)(48-50)(48-59)(49-58)(50-60)(51-54)(51-61)(52-59)(52-60)(53-57)(53-58)(54-62)(55-63)(59-64)(60-64)(61-64)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| K-562 | 2.7 | — | 10.1134/s1070363223020202 | 2023 |
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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