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BioLiP Library

PDB CCD ID: A1AJ8
Number of entries in BioLiP: 4
Chemical formula: C11 H13 F N2 O
InChI: InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChIKey: KXFXHXPKGLLUGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cccc(c1)C(=O)N2CCNCC2
ACDLabs 12.01O=C(c1cccc(F)c1)N1CCNCC1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)C(=O)N2CCNCC2
Name:(3-fluorophenyl)(piperazin-1-yl)methanone
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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