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BioLiP

PDB CCD ID: QNO
Number of entries in BioLiP: 5
Chemical formula: C18 H25 N O2
InChI: InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,20H,2-8,11H2,1H3
InChIKey: LMBFBUICIQJLPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O
ACDLabs 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCCCC
CACTVS 3.341CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
Name:2-NONYL-4-HYDROXYQUINOLINE N-OXIDE
ChEMBL: CHEMBL1235570
DrugBank: DB08453
ZINC: ZINC000100036761
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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