Molecule Info: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
Smiles:
C1CN(CC1CN)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)F)F
InChIKey:
FOFBOFVLPMOTDI-GFCCVEGCSA-N
InChI:
InChI=1S/C18H18F2N2O2/c19-14-3-6-17(16(20)9-14)24-15-4-1-13(2-5-15)18(23)22-8-7-12(10-21)11-22/h1-6,9,12H,7-8,10-11,21H2/t12-/m1/s1
InChIcol:
1
More information (from its Standard Form):
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
Complex structures in which this molecule appears :
Complex Structure ID: 2011 Complex Structure ID: 2012
References in which this molecule is mentioned:
Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and Selent, Jana and Dirsch, Verena M. and Kolb, Peter. 2024. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity. European Journal of Medicinal Chemistry None (None). doi: https://doi.org/10.1016/j.ejmech.2024.116616.
Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and Selent, Jana and Dirsch, Verena M. and Kolb, Peter. 2024. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity. European Journal of Medicinal Chemistry None (None). doi: 10.1016/j.ejmech.2024.116616.
Image of the Specific State
