Info
| ID | 117 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | 8 |
| SMILES | COc1ccc(/C([O-])=N/N=C\c2cccs2)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C23H25N2O2RuS/(1-29)(2-30)(3-42)(4-28)(5-26)(6-26)(7-26)(8-27)(9-34)(10-27)(11-27)(12-35)(13-43)(14-31)(15-32)(16-44)(17-44)(18-36)(19-33)(20-28)(21-28)(22-37)(23-47)(24-38)(25-44)(26-42)(27-42)(28-40)(29-34)(29-39)(30-35)(30-39)(31-32)(31-41)(32-45)(33-36)(33-47)(34-40)(35-40)(36-48)(37-38)(37-41)(38-45)(39-42)(41-46)(43-48)(43-50)(44-52)(45-52)(46-49)(46-51)(47-53)(48-53)(49-50)(49-54)(50-54)(52-54)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 8.3 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| HeLa | 9.4 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| HepG2 | 11 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| NIH-3T3 | 2.9e+02 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
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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