Inhibitor Report for: Piperidine-fused-benzimidazole-25
Piperidine-fused-benzimidazole-25 | Type (6) |
| Other_Name (9) |
| Chemical_Nomenclature | (2R,3R)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine |
| Formula | C18H16F3N3O2S |
| MW | 395.4 |
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| Paper | Edmondson_2009_Bioorg.Med.Chem.Lett_19_4097 |
| Structure | 3HAB |
| Gene_locus | human-DPP4 |
| CID | 11710963 |
| | 72199961 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | HJJAYSSCWGUPKO-ABAIWWIYSA-N |
| | HJJAYSSCWGUPKO-ABAIWWIYSA-O |
| CanonicalSMILES | 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 |
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