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BioLiP

PDB CCD ID: QOS
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N2 O
InChI: InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
InChIKey: AJYKJVCIKQEVCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1=C(N=C(C)C(N1)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CNC(=O)C(=N1)C
Name:3,5-dimethylpyrazin-2(1H)-one
ZINC: ZINC000014448309
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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