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BioLiP Library

PDB CCD ID: 9B2
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N3 O
InChI: InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23)
InChIKey: CVOACSZXXZBJFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4
CACTVS 3.385O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4
Name:2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one
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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