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BioLiP

PDB CCD ID: 20N
Number of entries in BioLiP: 2
Chemical formula: C12 H14 N2 O2
InChI: InChI=1S/C12H14N2O2/c1-8(15)13-10-4-6-11(7-5-10)14-12(16)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,13,15)(H,14,16)
InChIKey: XJFJFROTOPBZCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc(cc1)NC(=O)C2CC2
ACDLabs 12.01O=C(Nc1ccc(NC(=O)C)cc1)C2CC2
CACTVS 3.385CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
Name:N-[4-(acetylamino)phenyl]cyclopropanecarboxamide
ChEMBL: CHEMBL3127516
ZINC: ZINC000000142521
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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