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BioLiP

PDB CCD ID: R9G
Number of entries in BioLiP: 3
Chemical formula: C12 H15 N O2
InChI: InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
InChIKey: WMEQIJXKEGOFTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(C(N1CCCC1)=O)cc(cc2)OC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COc1cccc(c1)C(=O)N2CCCC2
Name:(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
ZINC: ZINC000000284712
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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