Piperidine-fused-benzimidazole-25

Type : Trifluoro, Piperidine, Sulfur Compound, Imidazole, Benzimidazole, Sulfonyl

Chemical_Nomenclature : (2R,3R)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine

Canonical SMILES : CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)N || CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)[NH3+]

InChI : InChI=1S\/C18H16F3N3O2S\/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19\/h2-5,7,11,15H,6,8,22H2,1H3\/t11-,15+\/m1\/s1

InChIKey : HJJAYSSCWGUPKO-ABAIWWIYSA-N || HJJAYSSCWGUPKO-ABAIWWIYSA-O

Other name(s) : (2r,3r)-7-(Methylsulfonyl)-3-(2,4,5-Trifluorophenyl)-1,2,3,4-Tetrahydropyrido[1,2-A]benzimidazol-2-Amine  ||  CHEMBL1197118  ||  DB07193  ||  (11R,12R)-5-methanesulfonyl-11-(2,4,5-trifluorophenyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8-tetraen-12-amine  ||  677  ||  CHEMBL559940  ||  3hab  ||  BDBM50296488  ||  Trifluoro-acetate(2R,3R)-7-methanesulfonyl-3-(2,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridin-2-yl-ammonium

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Families : Piperidine-fused-benzimidazole-25 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
3HAB

Protein :
human-DPP4