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BioLiP

PDB CCD ID: HQO
Number of entries in BioLiP: 18
Chemical formula: C16 H21 N O2
InChI: InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
InChIKey: NZPACTGCRWDXCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
ACDLabs 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
Name:2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
2-HEPTYL-1-OXY-QUINOLIN-4-OL
ChEMBL: CHEMBL1233401
DrugBank: DB07918
ZINC: ZINC000001529909
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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