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BioLiP Library

PDB CCD ID: 86G
Number of entries in BioLiP: 3
Chemical formula: C19 H19 N3 O2
InChI: InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
InChIKey: LTOKSVFUTQZXGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3
CACTVS 3.385COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1
ACDLabs 12.01COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1
Name:2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
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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