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BioLiP Library

PDB CCD ID: 8S7
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)
InChIKey: ICIVRYAXFYPMRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(c1cc(C)no1)C(C2CC2)=O
CACTVS 3.385Cc1cc(NC(=O)C2CC2)on1
OpenEye OEToolkits 2.0.6Cc1cc(on1)NC(=O)C2CC2
Name:N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
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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