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BioLiP Library

PDB CCD ID: 8TP
Number of entries in BioLiP: 4
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c1-9(13)11-7-8-12-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,11,13)
InChIKey: JOWPOHZYWVVXGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)CCNc1ccccc1
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NCCNc1ccccc1
Name:N-[2-(phenylamino)ethyl]acetamide
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)(download the PDF file).
  • 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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