SEQ2FUN

BioLiP

PDB CCD ID: VHO
Number of entries in BioLiP: 3
Chemical formula: C11 H12 F N O2
InChI: InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKey: KWLDKDIUPHEWRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)OCC(=O)NC2CC2
CACTVS 3.385Fc1cccc(OCC(=O)NC2CC2)c1
ACDLabs 12.01O=C(COc1cccc(F)c1)NC1CC1
Name:N-cyclopropyl-2-(3-fluorophenoxy)acetamide
ZINC: ZINC000032942957
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).