Info
| ID | 4090 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4, "S": 1, "O": 1} |
| Abbreviation | 4b |
| SMILES | CN(C)/C([S-])=N/N=C/c1c([O-])ccc2ccccc12.CN(C)C(=S)N/N=C/c1c([O-])ccc2ccccc12 |
TUCAN
C28H27N6O2RuS2/(1-46)(2-46)(3-33)(4-30)(5-34)(6-46)(7-29)(8-38)(9-36)(10-48)(11-48)(12-48)(13-49)(14-49)(15-50)(16-47)(17-47)(18-28)(19-51)(20-47)(21-32)(22-35)(23-39)(24-37)(25-31)(26-49)(27-58)(28-29)(28-33)(29-32)(30-34)(30-43)(31-39)(31-52)(32-43)(33-40)(34-53)(35-36)(35-42)(36-37)(37-38)(38-44)(39-44)(40-41)(40-43)(41-51)(41-53)(42-44)(42-45)(45-50)(45-52)(46-57)(47-57)(48-56)(49-56)(50-61)(51-59)(52-63)(53-62)(54-56)(54-60)(54-65)(55-57)(55-58)(55-64)(58-59)(59-66)(60-61)(60-66)(61-66)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MGC-803 | 6 | — | 10.1021/acs.jmedchem.3c01110 | 2023 |
| HL-7702 | 29 | — | 10.1021/acs.jmedchem.3c01110 | 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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