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BioLiP

PDB CCD ID: A1BFV
Number of entries in BioLiP: 1
Chemical formula: C10 H15 F N2 O2
InChI: InChI=1S/C10H15FN2O2/c11-9-2-1-3-13(8-9)10(14)12-4-6-15-7-5-12/h2H,1,3-8H2
InChIKey: LDGCQIOEOKUKQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C1CN(CC(=C1)F)C(=O)N2CCOCC2
ACDLabs 14.52O=C(N1CC(F)=CCC1)N1CCOCC1
CACTVS 3.385FC1=CCCN(C1)C(=O)N2CCOCC2
Name:(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-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).
  • 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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