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BioLiP Library

PDB CCD ID: VZC
Number of entries in BioLiP: 0
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: TYNMTKVSZGKSFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CN(C(=O)CC#N)c1ccccc1
OpenEye OEToolkits 2.0.7CN(c1ccccc1)C(=O)CC#N
Name:2-cyano-N-methyl-N-phenylacetamide
ZINC: ZINC000019502984
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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