Project Summary ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate

Molecule information

Bioactive Conformational Ensemble ID	BAC0010646
Ligand ID	VPX
PDB ID	3VW7
Experiment Type	X-RAY DIFFRACTION
Resolution	2.2 Å
Subset(s)	Overall Benchmark

Molecule properties

Smiles

CCOC(=O)N[C@H]1C[C@@H]2[C@@H](CC1)[C@@H]([C@H]1[C@@H](C2)C(=O)O[C@@H]1C)CCc1ccc(cn1)c1cc(F)ccc1

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Ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (VPX) Summary