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BioLiP

PDB CCD ID: H2Y
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c1-18-13-6-4-11(5-7-13)9-14(17)16-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKey: MQUBBMQYRRRRDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)CC(=O)Nc2cccnc2
CACTVS 3.385COc1ccc(CC(=O)Nc2cccnc2)cc1
ACDLabs 12.01N(C(Cc1ccc(OC)cc1)=O)c2cnccc2
Name:2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
ChEMBL: CHEMBL1894393
ZINC: ZINC000000304658
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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