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BioLiP

PDB CCD ID: AJW
Number of entries in BioLiP: 2
Chemical formula: C23 H29 N3 O2
InChI: InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)
InChIKey: USIMZAIRLDAIQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CACTVS 3.385O=C1CCc2ccc(OCCCCN3CCN(CC3)c4ccccc4)cc2N1
Name:7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
ChEMBL: CHEMBL160357
ZINC: ZINC000027722725
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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