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BioLiP

PDB CCD ID: X0G
Number of entries in BioLiP: 5
Chemical formula: C10 H15 N3 O2
InChI: InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
InChIKey: PAJXOLYFZZURHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C3N(Cc1nc(no1)C2CC2)CCOC3
OpenEye OEToolkits 2.0.7C1CC1c2nc(on2)CN3CCOCC3
CACTVS 3.385C1CN(CCO1)Cc2onc(n2)C3CC3
Name:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
ZINC: ZINC000040493773
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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