Info
| ID | 4013 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "O": 1, "N": 6} |
| Abbreviation | 2 |
| SMILES | CS(C)=O.O=C(N/N=C1\C(=O)c2cccnc2-c2ncccc21)c1ccco1.[Cl-].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C31H24N6O4RuS/(1-42)(2-26)(3-29)(4-33)(5-32)(6-35)(7-31)(8-34)(9-44)(10-28)(11-25)(12-54)(13-54)(14-54)(15-55)(16-50)(17-43)(18-41)(19-27)(20-36)(21-30)(22-55)(23-55)(24-57)(25-26)(25-42)(26-38)(27-28)(27-41)(28-37)(29-32)(29-38)(30-33)(30-43)(31-36)(31-51)(32-39)(33-39)(34-35)(34-40)(35-44)(36-50)(37-45)(37-52)(38-46)(39-48)(40-47)(40-49)(41-58)(42-59)(43-60)(44-56)(45-47)(45-58)(46-48)(46-59)(47-56)(48-60)(49-52)(49-61)(50-65)(51-53)(51-65)(52-63)(53-57)(53-62)(54-66)(55-66)(57-61)(58-67)(59-67)(60-67)(61-67)(64-66)(65-67)(66-67)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| K-562 | 36 | — | 10.3390/molecules26072084 | 2021 |
| K-562 | 52 | 17 | 10.3390/molecules26072084 | 2021 |
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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