SEQ2FUN

BioLiP

PDB CCD ID: ZU7
Number of entries in BioLiP: 0
Chemical formula: C12 H16 F N3 O
InChI: InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
InChIKey: ICEIGLHBKQEEMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(NC(=O)CN2CCNCC2)cc1
ACDLabs 12.01O=C(CN1CCNCC1)Nc1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)CN2CCNCC2)F
Name:N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
ZINC: ZINC000019371019
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).