Info
| ID | 766 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | RuL2 |
| SMILES | CCN1c2ccccc2Sc2cc(/C=N\Nc3nc(C)c(C(C)=O)s3)ccc21.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C31H34N4ORuS2/(1-44)(2-35)(3-46)(4-37)(5-37)(6-42)(7-41)(8-47)(9-35)(10-35)(11-38)(12-38)(13-36)(14-56)(15-55)(16-36)(17-38)(18-43)(19-45)(20-36)(21-57)(22-57)(23-39)(24-39)(25-51)(26-50)(27-40)(28-40)(29-48)(30-49)(31-40)(32-37)(33-39)(34-67)(35-55)(36-52)(37-58)(38-55)(39-57)(40-61)(41-42)(41-54)(42-52)(43-47)(43-52)(44-53)(44-62)(45-46)(45-53)(46-59)(47-54)(48-49)(48-63)(49-50)(50-51)(51-60)(53-56)(54-55)(56-69)(57-66)(58-64)(58-68)(59-62)(59-66)(60-63)(60-66)(61-64)(61-70)(62-71)(63-71)(64-72)(65-67)(65-68)(65-72)(67-69)(68-73)(69-73)(71-73)(72-73)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| fR2 | 0.14 | — | 10.3390/inorganics12110287 | 2024 |
| MDA-MB-231 | 0.45 | — | 10.3390/inorganics12110287 | 2024 |
| MCF-7 | 0.65 | — | 10.3390/inorganics12110287 | 2024 |
| Hs578T | 0.7 | — | 10.3390/inorganics12110287 | 2024 |
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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