Info
| ID | 4614 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 5 |
| SMILES | COC(=O)c1cc(N=Cc2cc3ccccc3cn2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C28H28N2O3Ru/(1-29)(2-33)(3-29)(4-29)(5-31)(6-32)(7-30)(8-34)(9-49)(10-38)(11-43)(12-41)(13-31)(14-30)(15-30)(16-39)(17-42)(18-54)(19-54)(20-54)(21-51)(22-37)(23-35)(24-31)(25-36)(26-40)(27-50)(28-60)(29-49)(30-49)(31-45)(32-33)(32-44)(33-45)(34-39)(34-45)(35-38)(35-53)(36-40)(36-43)(37-48)(37-52)(38-55)(39-44)(40-48)(41-43)(41-46)(42-47)(42-53)(44-49)(46-48)(46-50)(47-55)(47-56)(50-57)(51-52)(51-58)(52-57)(53-58)(54-61)(55-60)(56-59)(56-61)(57-62)(58-62)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 36 | — | 10.1021/acs.jmedchem.3c01092 | 2023 |
| MDA-MB-231 | 39 | — | 10.1021/acs.jmedchem.3c01092 | 2023 |
| MIA PaCa-2 | 40 | — | 10.1021/acs.jmedchem.3c01092 | 2023 |
| HT-29 | 49 | — | 10.1021/acs.jmedchem.3c01092 | 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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