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BioLiP Library

PDB CCD ID: 0W7
Number of entries in BioLiP: 1
Chemical formula: C16 H18 N4 O3
InChI: InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)
InChIKey: FPFCFOIMTFHSNY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3
ACDLabs 12.01O=C1C=C(N=C(N1)CC(=O)Nc2ccccc2)N3CCOCC3
CACTVS 3.370O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3
Name:2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
ChEMBL: CHEMBL2064419
ZINC: ZINC000084758862
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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