SEQ2FUN

BioLiP

PDB CCD ID: NT7
Number of entries in BioLiP: 5
Chemical formula: C14 H20 N2 O2
InChI: InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
InChIKey: PPTFUQPLPCCALB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(NC(=O)CN2CCOCC2)c1C
ACDLabs 12.01N(C(=O)CN1CCOCC1)c2cccc(c2C)C
OpenEye OEToolkits 2.0.6Cc1cccc(c1C)NC(=O)CN2CCOCC2
Name:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
ChEMBL: CHEMBL1605695
ZINC: ZINC000019235648
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).