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BioLiP

PDB CCD ID: 3Y7
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N4 O2
InChI: InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
InChIKey: LWCSTSZSZFUHAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c2c(c1N)non2)N3CCOCC3
CACTVS 3.385Nc1ccc(N2CCOCC2)c3nonc13
ACDLabs 12.01n1onc2c(ccc(c12)N)N3CCOCC3
Name:7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
ChEMBL: CHEMBL1470357
ZINC: ZINC000000816582
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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