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BioLiP

PDB CCD ID: O46
Number of entries in BioLiP: 1
Chemical formula: C19 H20 F N O3
InChI: InChI=1S/C19H20FNO3/c20-16-5-2-4-15(13-16)19(7-9-24-10-8-19)21-18(23)12-14-3-1-6-17(22)11-14/h1-6,11,13,22H,7-10,12H2,(H,21,23)
InChIKey: UQVBMSYLQWGFOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F
ACDLabs 12.01O=C(NC1(CCOCC1)c1cccc(F)c1)Cc1cccc(O)c1
CACTVS 3.385Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1
Name:N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
ZINC: ZINC000096003851
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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