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BioLiP Library

PDB CCD ID: WMD
Number of entries in BioLiP: 1
Chemical formula: C12 H17 F N2
InChI: InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1
InChIKey: UIJNEACQJVSKLI-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(C(C)N1CCNCC1)c(ccc2)F
OpenEye OEToolkits 2.0.7CC(c1ccccc1F)N2CCNCC2
OpenEye OEToolkits 2.0.7C[C@H](c1ccccc1F)N2CCNCC2
CACTVS 3.385C[CH](N1CCNCC1)c2ccccc2F
CACTVS 3.385C[C@@H](N1CCNCC1)c2ccccc2F
Name:1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine
ZINC: ZINC000022120800
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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