CrystalsFirst

Different ring systems at 1.2 Å resolution

The phenyl ring is electron rich with continuous density from the delocalized π-system. The side-on view with a clear planarity.

The piperidine ring is saturated, which is reflected by the electron density map. The chair conformation is clearly resolved in the crystal structure.

The imidazole ring has only a bump of its ring, but it is resolved at this resolution.

The solved structures are part of our internal MAGNET platform development activities. The molecules have been designed by our AI engine for fragment evolution and we solved them using an established SmartSoak system.

 

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