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BioLiP

PDB CCD ID: 8DQ
Number of entries in BioLiP: 1
Chemical formula: C19 H18 N2 O2
InChI: InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKey: NGAGMBNBKCDCDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4
CACTVS 3.385O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
ACDLabs 12.01O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4
Name:8-phenyl-2-piperazin-1-yl-chromen-4-one
ChEMBL: CHEMBL1363184
ZINC: ZINC000002507616
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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