S17-1001
General
Type : Acetanilide,Carboxamide,2-nitrophenyl
Chemical_Nomenclature : 2-[furan-2-ylmethyl-[(2-nitrophenyl)methyl]amino]-N-phenylacetamide
Canonical SMILES : C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CO3
InChI : InChI=1S\/C20H19N3O4\/c24-20(21-17-8-2-1-3-9-17)15-22(14-18-10-6-12-27-18)13-16-7-4-5-11-19(16)23(25)26\/h1-12H,13-15H2,(H,21,24)
InChIKey : CMVXDUZFKKRYCX-UHFFFAOYSA-N
Other name(s) : ZINC22963367,AKOS033496855,MCULE-9645892035,Z164597606,2-{[(furan-2-yl)methyl][(2-nitrophenyl)methyl]amino}-N-phenylacetamide
MW : 365.4
Formula : C20H19N3O4
CAS_number :
PubChem : 30748396
UniChem : CMVXDUZFKKRYCX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
References (1)
| Title : Expansion of the scaffold diversity for the development of highly selective butyrylcholinesterase (BChE) inhibitors: Discovery of new hits through the pharmacophore model generation, virtual screening and molecular dynamics simulation - Lu_2019_Bioorg.Chem_85_117 |
| Author(s) : Lu X , Yang H , Li Q , Chen Y , Zhou Y , Feng F , Liu W , Guo Q , Sun H |
| Ref : Bioorg Chem , 85 :117 , 2018 || 2019 |
| Abstract : Lu_2019_Bioorg.Chem_85_117 |
| ESTHER : Lu_2019_Bioorg.Chem_85_117 |
| PubMedSearch : Lu_2019_Bioorg.Chem_85_117 |
| PubMedID: 30605885 |