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BioLiP

PDB CCD ID: 5KN
Number of entries in BioLiP: 2
Chemical formula: C14 H21 N3 O2
InChI: InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
InChIKey: VEMKXLKXBFHADY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1N2CCOCC2)N3CCOCC3)N
ACDLabs 12.01c1c(N)c(cc(c1)N2CCOCC2)N3CCOCC3
CACTVS 3.385Nc1ccc(cc1N2CCOCC2)N3CCOCC3
Name:2,4-di(morpholin-4-yl)aniline
ChEMBL: CHEMBL5185780
ZINC: ZINC000000300179
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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