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BioLiP

PDB CCD ID: 97Z
Number of entries in BioLiP: 2
Chemical formula: C18 H17 N3 O2
InChI: InChI=1S/C18H17N3O2/c22-18-15-3-1-2-4-16(15)19-17(20-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22)
InChIKey: PMAAMDFJMLGNBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOCC4
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4
Name:2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-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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