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BioLiP

PDB CCD ID: MWR
Number of entries in BioLiP: 1
Chemical formula: C18 H14 Cl N O3
InChI: InChI=1S/C18H14ClNO3/c19-16-7-6-13(12-20-9-8-14(21)11-18(20)22)10-17(16)23-15-4-2-1-3-5-15/h1-11,21H,12H2
InChIKey: LXDAHZFNSUJXEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccc(cc1Oc1ccccc1)CN1C=CC(O)=CC1=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cc(ccc2Cl)CN3C=CC(=CC3=O)O
CACTVS 3.385OC1=CC(=O)N(Cc2ccc(Cl)c(Oc3ccccc3)c2)C=C1
Name:1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one
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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