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BioLiP

PDB CCD ID: VXF
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
InChIKey: NHFVDBCQOZATNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(cc1CN)N2CCOCC2
ACDLabs 12.01NCc1cc(ncc1)N1CCOCC1
CACTVS 3.385NCc1ccnc(c1)N2CCOCC2
Name:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
ZINC: ZINC000020230834
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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