Info
| ID | 2117 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"P": 1, "N": 2} |
| Abbreviation | 4a |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ncc[nH]2)cc1 |
TUCAN
C25H27N2PRu/(1-37)(2-39)(3-34)(4-29)(5-29)(6-31)(7-29)(8-47)(9-35)(10-48)(11-36)(12-40)(13-49)(14-44)(15-42)(16-38)(17-43)(18-28)(19-32)(20-33)(21-30)(22-28)(23-28)(24-30)(25-30)(26-41)(27-53)(28-45)(29-47)(30-47)(31-32)(31-45)(32-46)(33-41)(33-46)(34-37)(34-38)(35-38)(35-39)(36-40)(36-43)(37-50)(39-50)(40-51)(41-45)(42-43)(42-44)(44-51)(46-47)(48-49)(48-54)(49-53)(50-55)(51-55)(52-53)(52-54)(52-55)(54-56)(55-56)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780sens | 38 | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
| HCT-116 | 58 | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
| HCT-116 | 66 | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
| A2780sens | 83 | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
| H4IIE | — | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
| H4IIE | — | — | 10.1016/j.jorganchem.2012.06.0... | 2012 |
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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