Smiles:
CCNC1=NC2=C(CN(CC2)C(=O)CCC3=CC=C(C=C3)C(C)C)C(=N1)C(=O)N

InChIKey:
BXJNYBTXBRHAEU-UHFFFAOYSA-N

InChI:

InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)

InChIcol:
1

More information (from its Standard Form):

2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

Complex structures in which this molecule appears :

Complex Structure ID: 1765 Complex Structure ID: 1764 Complex Structure ID: 2006 Complex Structure ID: 2012 Complex Structure ID: 2007 Complex Structure ID: 2011

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.

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