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BioLiP

PDB CCD ID: T1S
Number of entries in BioLiP: 2
Chemical formula: C11 H14 Cl N O
InChI: InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKey: NWMZWMSJQLEJTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(CN2CCOCC2)c1
ACDLabs 12.01C1CN(CCO1)Cc2cccc(Cl)c2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CN2CCOCC2
Name:4-[(3-chlorophenyl)methyl]morpholine
ZINC: ZINC000019633220
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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